QUESTDB_website/data/database.json

{
 "/QUESTDB_website/data/LICENSE": "## ODC Open Database License (ODbL)\n\n### Preamble\n\nThe Open Database License (ODbL) is a license agreement intended to\nallow users to freely share, modify, and use this Database while\nmaintaining this same freedom for others. Many databases are covered by\ncopyright, and therefore this document licenses these rights. Some\njurisdictions, mainly in the European Union, have specific rights that\ncover databases, and so the ODbL addresses these rights, too. Finally,\nthe ODbL is also an agreement in contract for users of this Database to\nact in certain ways in return for accessing this Database.\n\nDatabases can contain a wide variety of types of content (images,\naudiovisual material, and sounds all in the same database, for example),\nand so the ODbL only governs the rights over the Database, and not the\ncontents of the Database individually. Licensors should use the ODbL\ntogether with another license for the contents, if the contents have a\nsingle set of rights that uniformly covers all of the contents. If the\ncontents have multiple sets of different rights, Licensors should\ndescribe what rights govern what contents together in the individual\nrecord or in some other way that clarifies what rights apply. \n\nSometimes the contents of a database, or the database itself, can be\ncovered by other rights not addressed here (such as private contracts,\ntrade mark over the name, or privacy rights / data protection rights\nover information in the contents), and so you are advised that you may\nhave to consult other documents or clear other rights before doing\nactivities not covered by this License.\n\n------\n\nThe Licensor (as defined below) \n\nand \n\nYou (as defined below) \n\nagree as follows: \n\n### 1.0 Definitions of Capitalised Words\n\n\"Collective Database\" - Means this Database in unmodified form as part\nof a collection of independent databases in themselves that together are\nassembled into a collective whole. A work that constitutes a Collective\nDatabase will not be considered a Derivative Database.\n\n\"Convey\" - As a verb, means Using the Database, a Derivative Database,\nor the Database as part of a Collective Database in any way that enables\na Person to make or receive copies of the Database or a Derivative\nDatabase.  Conveying does not include interaction with a user through a\ncomputer network, or creating and Using a Produced Work, where no\ntransfer of a copy of the Database or a Derivative Database occurs.\n\"Contents\" - The contents of this Database, which includes the\ninformation, independent works, or other material collected into the\nDatabase. For example, the contents of the Database could be factual\ndata or works such as images, audiovisual material, text, or sounds.\n\n\"Database\" - A collection of material (the Contents) arranged in a\nsystematic or methodical way and individually accessible by electronic\nor other means offered under the terms of this License.\n\n\"Database Directive\" - Means Directive 96/9/EC of the European\nParliament and of the Council of 11 March 1996 on the legal protection\nof databases, as amended or succeeded.\n\n\"Database Right\" - Means rights resulting from the Chapter III (\"sui\ngeneris\") rights in the Database Directive (as amended and as transposed\nby member states), which includes the Extraction and Re-utilisation of\nthe whole or a Substantial part of the Contents, as well as any similar\nrights available in the relevant jurisdiction under Section 10.4. \n\n\"Derivative Database\" - Means a database based upon the Database, and\nincludes any translation, adaptation, arrangement, modification, or any\nother alteration of the Database or of a Substantial part of the\nContents. This includes, but is not limited to, Extracting or\nRe-utilising the whole or a Substantial part of the Contents in a new\nDatabase.\n\n\"Extraction\" - Means the permanent or temporary transfer of all or a\nSubstantial part of the Contents to another medium by any means or in\nany form.\n\n\"License\" - Means this license agreement and is both a license of rights\nsuch as copyright and Database Rights and an agreement in contract.\n\n\"Licensor\" - Means the Person that offers the Database under the terms\nof this License. \n\n\"Person\" - Means a natural or legal person or a body of persons\ncorporate or incorporate.\n\n\"Produced Work\" -  a work (such as an image, audiovisual material, text,\nor sounds) resulting from using the whole or a Substantial part of the\nContents (via a search or other query) from this Database, a Derivative\nDatabase, or this Database as part of a Collective Database.  \n\n\"Publicly\" - means to Persons other than You or under Your control by\neither more than 50% ownership or by the power to direct their\nactivities (such as contracting with an independent consultant). \n\n\"Re-utilisation\" - means any form of making available to the public all\nor a Substantial part of the Contents by the distribution of copies, by\nrenting, by online or other forms of transmission.\n\n\"Substantial\" - Means substantial in terms of quantity or quality or a\ncombination of both. The repeated and systematic Extraction or\nRe-utilisation of insubstantial parts of the Contents may amount to the\nExtraction or Re-utilisation of a Substantial part of the Contents.\n\n\"Use\" - As a verb, means doing any act that is restricted by copyright\nor Database Rights whether in the original medium or any other; and\nincludes without limitation distributing, copying, publicly performing,\npublicly displaying, and preparing derivative works of the Database, as\nwell as modifying the Database as may be technically necessary to use it\nin a different mode or format. \n\n\"You\" - Means a Person exercising rights under this License who has not\npreviously violated the terms of this License with respect to the\nDatabase, or who has received express permission from the Licensor to\nexercise rights under this License despite a previous violation.\n\nWords in the singular include the plural and vice versa.\n\n### 2.0 What this License covers\n\n2.1. Legal effect of this document. This License is:\n\n  a. A license of applicable copyright and neighbouring rights;\n\n  b. A license of the Database Right; and\n\n  c. An agreement in contract between You and the Licensor.\n\n2.2 Legal rights covered. This License covers the legal rights in the\nDatabase, including:\n\n  a. Copyright. Any copyright or neighbouring rights in the Database.\n  The copyright licensed includes any individual elements of the\n  Database, but does not cover the copyright over the Contents\n  independent of this Database. See Section 2.4 for details. Copyright\n  law varies between jurisdictions, but is likely to cover: the Database\n  model or schema, which is the structure, arrangement, and organisation\n  of the Database, and can also include the Database tables and table\n  indexes; the data entry and output sheets; and the Field names of\n  Contents stored in the Database;\n\n  b. Database Rights. Database Rights only extend to the Extraction and\n  Re-utilisation of the whole or a Substantial part of the Contents.\n  Database Rights can apply even when there is no copyright over the\n  Database. Database Rights can also apply when the Contents are removed\n  from the Database and are selected and arranged in a way that would\n  not infringe any applicable copyright; and\n\n  c. Contract. This is an agreement between You and the Licensor for\n  access to the Database. In return you agree to certain conditions of\n  use on this access as outlined in this License. \n\n2.3 Rights not covered. \n\n  a. This License does not apply to computer programs used in the making\n  or operation of the Database; \n\n  b. This License does not cover any patents over the Contents or the\n  Database; and\n\n  c. This License does not cover any trademarks associated with the\n  Database. \n\n2.4 Relationship to Contents in the Database. The individual items of\nthe Contents contained in this Database may be covered by other rights,\nincluding copyright, patent, data protection, privacy, or personality\nrights, and this License does not cover any rights (other than Database\nRights or in contract) in individual Contents contained in the Database.\nFor example, if used on a Database of images (the Contents), this\nLicense would not apply to copyright over individual images, which could\nhave their own separate licenses, or one single license covering all of\nthe rights over the images.  \n\n### 3.0 Rights granted\n\n3.1 Subject to the terms and conditions of this License, the Licensor\ngrants to You a worldwide, royalty-free, non-exclusive, terminable (but\nonly under Section 9) license to Use the Database for the duration of\nany applicable copyright and Database Rights. These rights explicitly\ninclude commercial use, and do not exclude any field of endeavour. To\nthe extent possible in the relevant jurisdiction, these rights may be\nexercised in all media and formats whether now known or created in the\nfuture. \n\nThe rights granted cover, for example:\n\n  a. Extraction and Re-utilisation of the whole or a Substantial part of\n  the Contents;\n\n  b. Creation of Derivative Databases;\n\n  c. Creation of Collective Databases;\n\n  d. Creation of temporary or permanent reproductions by any means and\n  in any form, in whole or in part, including of any Derivative\n  Databases or as a part of Collective Databases; and\n\n  e. Distribution, communication, display, lending, making available, or\n  performance to the public by any means and in any form, in whole or in\n  part, including of any Derivative Database or as a part of Collective\n  Databases.\n\n3.2 Compulsory license schemes. For the avoidance of doubt:\n\n  a. Non-waivable compulsory license schemes. In those jurisdictions in\n  which the right to collect royalties through any statutory or\n  compulsory licensing scheme cannot be waived, the Licensor reserves\n  the exclusive right to collect such royalties for any exercise by You\n  of the rights granted under this License;\n\n  b. Waivable compulsory license schemes. In those jurisdictions in\n  which the right to collect royalties through any statutory or\n  compulsory licensing scheme can be waived, the Licensor waives the\n  exclusive right to collect such royalties for any exercise by You of\n  the rights granted under this License; and,\n\n  c. Voluntary license schemes. The Licensor waives the right to collect\n  royalties, whether individually or, in the event that the Licensor is\n  a member of a collecting society that administers voluntary licensing\n  schemes, via that society, from any exercise by You of the rights\n  granted under this License.\n\n3.3 The right to release the Database under different terms, or to stop\ndistributing or making available the Database, is reserved. Note that\nthis Database may be multiple-licensed, and so You may have the choice\nof using alternative licenses for this Database. Subject to Section\n10.4, all other rights not expressly granted by Licensor are reserved.\n\n### 4.0 Conditions of Use\n\n4.1 The rights granted in Section 3 above are expressly made subject to\nYour complying with the following conditions of use. These are important\nconditions of this License, and if You fail to follow them, You will be\nin material breach of its terms.\n\n4.2 Notices. If You Publicly Convey this Database, any Derivative\nDatabase, or the Database as part of a Collective Database, then You\nmust: \n\n  a. Do so only under the terms of this License or another license\n  permitted under Section 4.4;\n\n  b. Include a copy of this License (or, as applicable, a license\n  permitted under Section 4.4) or its Uniform Resource Identifier (URI)\n  with the Database or Derivative Database, including both in the\n  Database or Derivative Database and in any relevant documentation; and\n\n  c. Keep intact any copyright or Database Right notices and notices\n  that refer to this License.\n\n  d. If it is not possible to put the required notices in a particular\n  file due to its structure, then You must include the notices in a\n  location (such as a relevant directory) where users would be likely to\n  look for it.\n\n4.3 Notice for using output (Contents). Creating and Using a Produced\nWork does not require the notice in Section 4.2. However, if you\nPublicly Use a Produced Work, You must include a notice associated with\nthe Produced Work reasonably calculated to make any Person that uses,\nviews, accesses, interacts with, or is otherwise exposed to the Produced\nWork aware that Content was obtained from the Database, Derivative\nDatabase, or the Database as part of a Collective Database, and that it\nis available under this License.\n\n  a. Example notice. The following text will satisfy notice under\n  Section 4.3:\n\n        Contains information from DATABASE NAME, which is made available\n        here under the Open Database License (ODbL).\n\nDATABASE NAME should be replaced with the name of the Database and a\nhyperlink to the URI of the Database. \"Open Database License\" should\ncontain a hyperlink to the URI of the text of this License. If\nhyperlinks are not possible, You should include the plain text of the\nrequired URI's with the above notice.\n \n4.4 Share alike. \n\n  a. Any Derivative Database that You Publicly Use must be only under\n  the terms of: \n\n    i. This License;\n\n    ii. A later version of this License similar in spirit to this\n      License; or\n\n    iii. A compatible license. \n\n  If You license the Derivative Database under one of the licenses\n  mentioned in (iii), You must comply with the terms of that license. \n\n  b. For the avoidance of doubt, Extraction or Re-utilisation of the\n  whole or a Substantial part of the Contents into a new database is a\n  Derivative Database and must comply with Section 4.4. \n\n  c. Derivative Databases and Produced Works.  A Derivative Database is\n  Publicly Used and so must comply with Section 4.4. if a Produced Work\n  created from the Derivative Database is Publicly Used.\n\n  d. Share Alike and additional Contents. For the avoidance of doubt,\n  You must not add Contents to Derivative Databases under Section 4.4 a\n  that are incompatible with the rights granted under this License. \n\n  e. Compatible licenses. Licensors may authorise a proxy to determine\n  compatible licenses under Section 4.4 a iii. If they do so, the\n  authorised proxy's public statement of acceptance of a compatible\n  license grants You permission to use the compatible license.\n\n\n4.5 Limits of Share Alike.  The requirements of Section 4.4 do not apply\nin the following:\n\n  a. For the avoidance of doubt, You are not required to license\n  Collective Databases under this License if You incorporate this\n  Database or a Derivative Database in the collection, but this License\n  still applies to this Database or a Derivative Database as a part of\n  the Collective Database; \n\n  b. Using this Database, a Derivative Database, or this Database as\n  part of a Collective Database to create a Produced Work does not\n  create a Derivative Database for purposes of  Section 4.4; and\n\n  c. Use of a Derivative Database internally within an organisation is\n  not to the public and therefore does not fall under the requirements\n  of Section 4.4.\n\n4.6 Access to Derivative Databases. If You Publicly Use a Derivative\nDatabase or a Produced Work from a Derivative Database, You must also\noffer to recipients of the Derivative Database or Produced Work a copy\nin a machine readable form of:\n\n  a. The entire Derivative Database; or\n\n  b. A file containing all of the alterations made to the Database or\n  the method of making the alterations to the Database (such as an\n  algorithm), including any additional Contents, that make up all the\n  differences between the Database and the Derivative Database.\n\nThe Derivative Database (under a.) or alteration file (under b.) must be\navailable at no more than a reasonable production cost for physical\ndistributions and free of charge if distributed over the internet.\n\n4.7 Technological measures and additional terms\n\n  a. This License does not allow You to impose (except subject to\n  Section 4.7 b.)  any terms or any technological measures on the\n  Database, a Derivative Database, or the whole or a Substantial part of\n  the Contents that alter or restrict the terms of this License, or any\n  rights granted under it, or have the effect or intent of restricting\n  the ability of any person to exercise those rights.\n\n  b. Parallel distribution. You may impose terms or technological\n  measures on the Database, a Derivative Database, or the whole or a\n  Substantial part of the Contents (a \"Restricted Database\") in\n  contravention of Section 4.74 a. only if You also make a copy of the\n  Database or a Derivative Database available to the recipient of the\n  Restricted Database:\n\n    i. That is available without additional fee;\n\n    ii. That is available in a medium that does not alter or restrict\n    the terms of this License, or any rights granted under it, or have\n    the effect or intent of restricting the ability of any person to\n    exercise those rights (an \"Unrestricted Database\"); and\n\n    iii. The Unrestricted Database is at least as accessible to the\n    recipient as a practical matter as the Restricted Database.\n\n  c. For the avoidance of doubt, You may place this Database or a\n  Derivative Database in an authenticated environment, behind a\n  password, or within a similar access control scheme provided that You\n  do not alter or restrict the terms of this License or any rights\n  granted under it or have the effect or intent of restricting the\n  ability of any person to exercise those rights. \n\n4.8 Licensing of others. You may not sublicense the Database. Each time\nYou communicate the Database, the whole or Substantial part of the\nContents, or any Derivative Database to anyone else in any way, the\nLicensor offers to the recipient a license to the Database on the same\nterms and conditions as this License. You are not responsible for\nenforcing compliance by third parties with this License, but You may\nenforce any rights that You have over a Derivative Database. You are\nsolely responsible for any modifications of a Derivative Database made\nby You or another Person at Your direction. You may not impose any\nfurther restrictions on the exercise of the rights granted or affirmed\nunder this License.\n\n### 5.0 Moral rights\n\n5.1 Moral rights. This section covers moral rights, including any rights\nto be identified as the author of the Database or to object to treatment\nthat would otherwise prejudice the author's honour and reputation, or\nany other derogatory treatment:\n\n  a. For jurisdictions allowing waiver of moral rights, Licensor waives\n  all moral rights that Licensor may have in the Database to the fullest\n  extent possible by the law of the relevant jurisdiction under Section\n  10.4; \n\n  b. If waiver of moral rights under Section 5.1 a in the relevant\n  jurisdiction is not possible, Licensor agrees not to assert any moral\n  rights over the Database and waives all claims in moral rights to the\n  fullest extent possible by the law of the relevant jurisdiction under\n  Section 10.4; and\n\n  c. For jurisdictions not allowing waiver or an agreement not to assert\n  moral rights under Section 5.1 a and b, the author may retain their\n  moral rights over certain aspects of the Database.\n\nPlease note that some jurisdictions do not allow for the waiver of moral\nrights, and so moral rights may still subsist over the Database in some\njurisdictions.\n\n### 6.0 Fair dealing, Database exceptions, and other rights not affected \n\n6.1 This License does not affect any rights that You or anyone else may\nindependently have under any applicable law to make any use of this\nDatabase, including without limitation:\n\n  a. Exceptions to the Database Right including: Extraction of Contents\n  from non-electronic Databases for private purposes, Extraction for\n  purposes of illustration for teaching or scientific research, and\n  Extraction or Re-utilisation for public security or an administrative\n  or judicial procedure. \n\n  b. Fair dealing, fair use, or any other legally recognised limitation\n  or exception to infringement of copyright or other applicable laws. \n\n6.2 This License does not affect any rights of lawful users to Extract\nand Re-utilise insubstantial parts of the Contents, evaluated\nquantitatively or qualitatively, for any purposes whatsoever, including\ncreating a Derivative Database (subject to other rights over the\nContents, see Section 2.4). The repeated and systematic Extraction or\nRe-utilisation of insubstantial parts of the Contents may however amount\nto the Extraction or Re-utilisation of a Substantial part of the\nContents.\n\n### 7.0 Warranties and Disclaimer\n\n7.1 The Database is licensed by the Licensor \"as is\" and without any\nwarranty of any kind, either express, implied, or arising by statute,\ncustom, course of dealing, or trade usage. Licensor specifically\ndisclaims any and all implied warranties or conditions of title,\nnon-infringement, accuracy or completeness, the presence or absence of\nerrors, fitness for a particular purpose, merchantability, or otherwise.\nSome jurisdictions do not allow the exclusion of implied warranties, so\nthis exclusion may not apply to You.\n\n### 8.0 Limitation of liability\n\n8.1 Subject to any liability that may not be excluded or limited by law,\nthe Licensor is not liable for, and expressly excludes, all liability\nfor loss or damage however and whenever caused to anyone by any use\nunder this License, whether by You or by anyone else, and whether caused\nby any fault on the part of the Licensor or not. This exclusion of\nliability includes, but is not limited to, any special, incidental,\nconsequential, punitive, or exemplary damages such as loss of revenue,\ndata, anticipated profits, and lost business. This exclusion applies\neven if the Licensor has been advised of the possibility of such\ndamages.\n\n8.2 If liability may not be excluded by law, it is limited to actual and\ndirect financial loss to the extent it is caused by proved negligence on\nthe part of the Licensor.\n\n### 9.0 Termination of Your rights under this License\n\n9.1 Any breach by You of the terms and conditions of this License\nautomatically terminates this License with immediate effect and without\nnotice to You. For the avoidance of doubt, Persons who have received the\nDatabase, the whole or a Substantial part of the Contents, Derivative\nDatabases, or the Database as part of a Collective Database from You\nunder this License will not have their licenses terminated provided\ntheir use is in full compliance with this License or a license granted\nunder Section 4.8 of this License.  Sections 1, 2, 7, 8, 9 and 10 will\nsurvive any termination of this License.\n\n9.2 If You are not in breach of the terms of this License, the Licensor\nwill not terminate Your rights under it. \n\n9.3 Unless terminated under Section 9.1, this License is granted to You\nfor the duration of applicable rights in the Database. \n\n9.4 Reinstatement of rights. If you cease any breach of the terms and\nconditions of this License, then your full rights under this License\nwill be reinstated:\n\n  a. Provisionally and subject to permanent termination until the 60th\n  day after cessation of breach; \n\n  b. Permanently on the 60th day after cessation of breach unless\n  otherwise reasonably notified by the Licensor; or\n\n  c.  Permanently if reasonably notified by the Licensor of the\n  violation, this is the first time You have received notice of\n  violation of this License from  the Licensor, and You cure the\n  violation prior to 30 days after your receipt of the notice.\n\nPersons subject to permanent termination of rights are not eligible to\nbe a recipient and receive a license under Section 4.8.\n\n9.5 Notwithstanding the above, Licensor reserves the right to release\nthe Database under different license terms or to stop distributing or\nmaking available the Database. Releasing the Database under different\nlicense terms or stopping the distribution of the Database will not\nwithdraw this License (or any other license that has been, or is\nrequired to be, granted under the terms of this License), and this\nLicense will continue in full force and effect unless terminated as\nstated above.\n\n### 10.0 General\n\n10.1 If any provision of this License is held to be invalid or\nunenforceable, that must not affect the validity or enforceability of\nthe remainder of the terms and conditions of this License and each\nremaining provision of this License shall be valid and enforced to the\nfullest extent permitted by law. \n\n10.2 This License is the entire agreement between the parties with\nrespect to the rights granted here over the Database. It replaces any\nearlier understandings, agreements or representations with respect to\nthe Database. \n\n10.3 If You are in breach of the terms of this License, You will not be\nentitled to rely on the terms of this License or to complain of any\nbreach by the Licensor. \n\n10.4 Choice of law. This License takes effect in and will be governed by\nthe laws of the relevant jurisdiction in which the License terms are\nsought to be enforced. If the standard suite of rights granted under\napplicable copyright law and Database Rights in the relevant\njurisdiction includes additional rights not granted under this License,\nthese additional rights are granted in this License in order to meet the\nterms of this License.\n",
 "/QUESTDB_website/data/index.yaml": "sets:\n  QUEST#1:\n    - 10.1021/acs.jctc.8b00406\n    - 10.1021/acs.jpclett.9b03652\n    - 10.1002/wcms.1517\n  QUEST#2:\n    - 10.1021/acs.jctc.8b01205    \n  QUEST#3:\n    - 10.1021/acs.jctc.9b01216\n    - 10.1021/acs.jpclett.9b03652\n    - 10.1002/wcms.1517\n  QUEST#4:\n    - 10.1021/acs.jctc.0c00227\n    - 10.1002/wcms.1517\n  QUEST#5:\n    - 10.1002/wcms.1517\nothers:\nreviews:\n  - 10.1021/acs.jpclett.0c00014\n",
 "/QUESTDB_website/data/publis/10/1002/wcms/1517/metadata.json": "{\n  \"indexed\": {\n    \"date-parts\": [\n      [\n        2021,\n        2,\n        20\n      ]\n    ],\n    \"date-time\": \"2021-02-20T10:48:41Z\",\n    \"timestamp\": 1613818121855\n  },\n  \"reference-count\": 230,\n  \"publisher\": \"Wiley\",\n  \"license\": [\n    {\n      \"URL\": \"http://onlinelibrary.wiley.com/termsAndConditions#vor\",\n      \"start\": {\n        \"date-parts\": [\n          [\n            2021,\n            2,\n            17\n          ]\n        ],\n        \"date-time\": \"2021-02-17T00:00:00Z\",\n        \"timestamp\": 1613520000000\n      },\n      \"delay-in-days\": 0,\n      \"content-version\": \"vor\"\n    },\n    {\n      \"URL\": \"http://doi.wiley.com/10.1002/tdm_license_1.1\",\n      \"start\": {\n        \"date-parts\": [\n          [\n            2021,\n            2,\n            17\n          ]\n        ],\n        \"date-time\": \"2021-02-17T00:00:00Z\",\n        \"timestamp\": 1613520000000\n      },\n      \"delay-in-days\": 0,\n      \"content-version\": \"tdm\"\n    }\n  ],\n  \"funder\": [\n    {\n      \"DOI\": \"10.13039/501100001665\",\n      \"name\": \"Agence Nationale de la Recherche\",\n      \"doi-asserted-by\": \"publisher\",\n      \"award\": [\n        \"ANR\\u201018\\u2010EURE\\u20100012\"\n      ]\n    },\n    {\n      \"DOI\": \"10.13039/100010663\",\n      \"name\": \"H2020 European Research Council\",\n      \"doi-asserted-by\": \"publisher\",\n      \"award\": [\n        \"863481\"\n      ]\n    }\n  ],\n  \"content-domain\": {\n    \"domain\": [\n      \"onlinelibrary.wiley.com\"\n    ],\n    \"crossmark-restriction\": true\n  },\n  \"short-container-title\": [\n    \"WIREs Comput Mol Sci\"\n  ],\n  \"DOI\": \"10.1002/wcms.1517\",\n  \"type\": \"journal-article\",\n  \"created\": {\n    \"date-parts\": [\n      [\n        2021,\n        2,\n        20\n      ]\n    ],\n    \"date-time\": \"2021-02-20T10:06:14Z\",\n    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   \"year\": \"2021\",\n      \"article-title\": \"Benchmarking TD\\u2010DFT and Wave Function Methods for Oscillator Strengths and Excited\\u2010State Dipole Moments\",\n      \"journal-title\": \"Journal of Chemical Theory and Computation\",\n      \"DOI\": \"10.1021/acs.jctc.0c01228\",\n      \"doi-asserted-by\": \"crossref\"\n    },\n    {\n      \"key\": \"e_1_2_12_230_1\",\n      \"doi-asserted-by\": \"crossref\",\n      \"first-page\": \"1534\",\n      \"DOI\": \"10.1021/acs.jctc.7b01224\",\n      \"article-title\": \"What is the key for accurate absorption and emission calculations, energy or geometry ?\",\n      \"volume\": \"14\",\n      \"author\": \"Jacquemin D\",\n      \"year\": \"2018\",\n      \"journal-title\": \"J Chem Theory Comput\"\n    },\n    {\n      \"key\": \"e_1_2_12_231_1\",\n      \"doi-asserted-by\": \"crossref\",\n      \"first-page\": \"27735\",\n      \"DOI\": \"10.1039/C8CP05554H\",\n      \"article-title\": \"\\u2018Diet GMTKN55\\u2019 offers 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 "/QUESTDB_website/data/publis/10/1002/wcms/1517/abstract.html": "We describe our efforts of the past few years to create a large set of more than 500 highly accurate vertical excitation energies of various natures (<span><i>\u03c0</i>\u2009\u2192\u2009<i>\u03c0</i><sup>*</sup></span>, <span><i>n</i>\u2009\u2192\u2009<i>\u03c0</i><sup>*</sup></span>, double excitation, Rydberg, singlet, doublet, triplet, etc.) in small\u2010 and medium\u2010sized molecules. These values have been obtained using an incremental strategy which consists in combining high\u2010order coupled cluster and selected configuration interaction calculations using increasingly large diffuse basis sets in order to reach high accuracy. One of the key aspects of the so\u2010called QUEST database of vertical excitations is that it does not rely on any experimental values, avoiding potential biases inherently linked to experiments and facilitating theoretical cross comparisons. Following this composite protocol, we have been able to produce theoretical best estimates (TBEs) with the aug\u2010cc\u2010pVTZ basis set for each of these transitions, as well as basis set corrected TBEs (i.e., near the complete basis set limit) for some of them. The TBEs/aug\u2010cc\u2010pVTZ have been employed to benchmark a large number of (lower\u2010order) wave function methods such as CIS(D), ADC(2), CC2, STEOM\u2010CCSD, CCSD, CCSDR(3), CCSDT\u20103, ADC(3), CC3, NEVPT2, and so on (including spin\u2010scaled variants). In order to gather the huge amount of data produced during the QUEST project, we have created a website (<a href=\"https://lcpq.github.io/QUESTDB_website\" class=\"linkBehavior\">https://lcpq.github.io/QUESTDB_website</a>) where one can easily test and compare the accuracy of a given method with respect to various variables such as the molecule size or its family, the nature of the excited states, the type of basis set, and so on. We hope that the present review will provide a useful summary of our effort so far and foster new developments around excited\u2010state methods.w",
 "/QUESTDB_website/data/publis/10/1021/acs/jpclett/0c00014/metadata.json": "{\n  \"indexed\": {\n    \"date-parts\": [\n      [\n        2020,\n        10,\n        16\n      ]\n    ],\n    \"date-time\": \"2020-10-16T15:03:35Z\",\n    \"timestamp\": 1602860615926\n  },\n  \"reference-count\": 114,\n  \"publisher\": \"American Chemical Society (ACS)\",\n  \"issue\": \"6\",\n  \"funder\": [\n    {\n      \"DOI\": \"10.13039/501100004794\",\n      \"name\": \"Centre National de la Recherche Scientifique\",\n      \"doi-asserted-by\": \"publisher\",\n      \"award\": []\n    },\n    {\n      \"name\": \"R?gion des Pays de la Loire\",\n      \"award\": []\n    }\n  ],\n  \"content-domain\": {\n    \"domain\": [],\n    \"crossmark-restriction\": false\n  },\n  \"short-container-title\": [\n    \"J. Phys. Chem. Lett.\"\n  ],\n  \"published-print\": {\n    \"date-parts\": [\n      [\n        2020,\n        3,\n        19\n      ]\n    ]\n  },\n  \"DOI\": \"10.1021/acs.jpclett.0c00014\",\n  \"type\": \"journal-article\",\n  \"created\": {\n    \"date-parts\": [\n      [\n        2020,\n        3,\n        3\n      ]\n    ],\n    \"date-time\": \"2020-03-03T19:29:26Z\",\n    \"timestamp\": 1583263766000\n  },\n  \"page\": \"2374-2383\",\n  \"source\": \"Crossref\",\n  \"is-referenced-by-count\": 10,\n  \"title\": [\n    \"The Quest for Highly Accurate Excitation Energies: A Computational Perspective\"\n  ],\n  \"prefix\": \"10.1021\",\n  \"volume\": \"11\",\n  \"author\": [\n    {\n      \"ORCID\": \"http://orcid.org/0000-0003-0598-7425\",\n      \"authenticated-orcid\": true,\n      \"given\": \"Pierre-Fran\\u00e7ois\",\n      \"family\": \"Loos\",\n      \"sequence\": \"first\",\n      \"affiliation\": [\n        {\n          \"name\": \"Laboratoire de Chimie et Physique Quantiques, Universit\\u00e9 de Toulouse, CNRS, UPS, 31062 Toulouse, France\"\n        }\n      ]\n    },\n    {\n      \"given\": \"Anthony\",\n      \"family\": \"Scemama\",\n      \"sequence\": \"additional\",\n      \"affiliation\": [\n        {\n          \"name\": \"Laboratoire de Chimie et Physique Quantiques, Universit\\u00e9 de Toulouse, CNRS, UPS, 31062 Toulouse, France\"\n        }\n      ]\n    },\n    {\n      \"ORCID\": \"http://orcid.org/0000-0002-4217-0708\",\n      \"authenticated-orcid\": true,\n      \"given\": \"Denis\",\n      \"family\": \"Jacquemin\",\n      \"sequence\": \"additional\",\n      \"affiliation\": [\n        {\n          \"name\": \"Universit\\u00e9 de Nantes, CNRS, CEISAM UMR 6230, F-44000 Nantes, France\"\n        }\n      ]\n    }\n  ],\n  \"member\": \"316\",\n  \"published-online\": {\n    \"date-parts\": [\n      [\n        2020,\n        3,\n        3\n      ]\n    ]\n  },\n  \"container-title\": [\n    \"The Journal of Physical Chemistry Letters\"\n  ],\n  \"original-title\": [],\n  \"language\": \"en\",\n  \"link\": [\n    {\n      \"URL\": \"https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.0c00014\",\n      \"content-type\": \"unspecified\",\n      \"content-version\": \"vor\",\n      \"intended-application\": \"similarity-checking\"\n    }\n  ],\n  \"deposited\": {\n    \"date-parts\": [\n      [\n        2020,\n        4,\n        6\n      ]\n    ],\n    \"date-time\": \"2020-04-06T18:58:24Z\",\n    \"timestamp\": 1586199504000\n  },\n  \"score\": 1.0,\n  \"subtitle\": [],\n  \"short-title\": [],\n  \"issued\": {\n    \"date-parts\": [\n      [\n        2020,\n        3,\n        3\n      ]\n    ]\n  },\n  \"references-count\": 114,\n  \"journal-issue\": {\n    \"published-print\": {\n      \"date-parts\": [\n        [\n          2020,\n          3,\n          19\n        ]\n      ]\n    },\n    \"issue\": \"6\"\n  },\n  \"alternative-id\": [\n    \"10.1021/acs.jpclett.0c00014\"\n  ],\n  \"URL\": \"http://dx.doi.org/10.1021/acs.jpclett.0c00014\",\n  \"relation\": {},\n  \"ISSN\": [\n    \"1948-7185\",\n    \"1948-7185\"\n  ],\n  \"issn-type\": [\n    {\n      \"value\": \"1948-7185\",\n      \"type\": \"print\"\n    },\n    {\n      \"value\": \"1948-7185\",\n      \"type\": \"electronic\"\n    }\n  ],\n  \"subject\": [\n    \"General Materials Science\"\n  ]\n}",
 "/QUESTDB_website/data/publis/10/1021/acs/jpclett/0c00014/abstract.html": "We provide an overview of the successive steps that made it possible to obtain increasingly accurate excitation energies with computational chemistry tools, eventually leading to chemically accurate vertical transition energies for small- and medium-size molecules. First, we describe the evolution of <i>ab initio</i> methods employed to define benchmark values, with the original Roos CASPT2 method, then the CC3 method as in the renowned Thiel set, and more recently the resurgence of selected configuration interaction methods. The latter method has been able to deliver consistently, for both single and double excitations, highly accurate excitation energies for small molecules, as well as medium-size molecules with compact basis sets. Second, we describe how these high-level methods and the creation of representative benchmark sets of excitation energies have allowed the fair and accurate assessment of the performance of computationally lighter methods. We conclude by discussing possible future theoretical and technological developments in the field.",
 "/QUESTDB_website/data/publis/10/1021/acs/jpclett/9b03652/metadata.json": "{\n  \"indexed\": {\n    \"date-parts\": [\n      [\n        2020,\n        5,\n        20\n      ]\n    ],\n    \"date-time\": \"2020-05-20T11:06:57Z\",\n    \"timestamp\": 1589972817879\n  },\n  \"reference-count\": 54,\n  \"publisher\": \"American Chemical Society (ACS)\",\n  \"issue\": \"3\",\n  \"funder\": [\n    {\n      \"DOI\": \"10.13039/501100004794\",\n      \"name\": \"Centre National de la Recherche Scientifique\",\n      \"doi-asserted-by\": \"publisher\",\n      \"award\": []\n    }\n  ],\n  \"content-domain\": {\n    \"domain\": [],\n    \"crossmark-restriction\": false\n  },\n  \"short-container-title\": [\n    \"J. Phys. Chem. Lett.\"\n  ],\n  \"published-print\": {\n    \"date-parts\": [\n      [\n        2020,\n        2,\n        6\n      ]\n    ]\n  },\n  \"DOI\": \"10.1021/acs.jpclett.9b03652\",\n  \"type\": \"journal-article\",\n  \"created\": {\n    \"date-parts\": [\n      [\n        2020,\n        1,\n        8\n      ]\n    ],\n    \"date-time\": \"2020-01-08T20:22:46Z\",\n    \"timestamp\": 1578514966000\n  },\n  \"page\": \"974-980\",\n  \"source\": \"Crossref\",\n  \"is-referenced-by-count\": 2,\n  \"title\": [\n    \"Is ADC(3) as Accurate as CC3 for Valence and Rydberg Transition Energies?\"\n  ],\n  \"prefix\": \"10.1021\",\n  \"volume\": \"11\",\n  \"author\": [\n    {\n      \"ORCID\": \"http://orcid.org/0000-0003-0598-7425\",\n      \"authenticated-orcid\": true,\n      \"given\": \"Pierre-Fran\\u00e7ois\",\n      \"family\": \"Loos\",\n      \"sequence\": \"first\",\n      \"affiliation\": [\n        {\n          \"name\": \"Laboratoire de Chimie et Physique Quantiques (UMR 5626), CNRS, Universit\\u00e9 de Toulouse, 31077 Toulouse, France\"\n        }\n      ]\n    },\n    {\n      \"ORCID\": \"http://orcid.org/0000-0002-4217-0708\",\n      \"authenticated-orcid\": true,\n      \"given\": \"Denis\",\n      \"family\": \"Jacquemin\",\n      \"sequence\": \"additional\",\n      \"affiliation\": [\n        {\n          \"name\": \"Laboratoire CEISAM UMR UN-CNRS 6230, Universit\\u00e9 de Nantes, F-44000 Nantes, France\"\n        }\n      ]\n    }\n  ],\n  \"member\": \"316\",\n  \"published-online\": {\n    \"date-parts\": [\n      [\n        2020,\n        1,\n        8\n      ]\n    ]\n  },\n  \"container-title\": [\n    \"The Journal of Physical Chemistry Letters\"\n  ],\n  \"original-title\": [],\n  \"language\": \"en\",\n  \"link\": [\n    {\n      \"URL\": \"https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.9b03652\",\n      \"content-type\": \"unspecified\",\n      \"content-version\": \"vor\",\n      \"intended-application\": \"similarity-checking\"\n    }\n  ],\n  \"deposited\": {\n    \"date-parts\": [\n      [\n        2020,\n        4,\n        7\n      ]\n    ],\n    \"date-time\": \"2020-04-07T11:10:13Z\",\n    \"timestamp\": 1586257813000\n  },\n  \"score\": 1.0,\n  \"subtitle\": [],\n  \"short-title\": [],\n  \"issued\": {\n    \"date-parts\": [\n      [\n        2020,\n        1,\n        8\n      ]\n    ]\n  },\n  \"references-count\": 54,\n  \"journal-issue\": {\n    \"published-online\": {\n      \"date-parts\": [\n        [\n          2020,\n          1,\n          14\n        ]\n      ]\n    },\n    \"published-print\": {\n      \"date-parts\": [\n        [\n          2020,\n          2,\n          6\n        ]\n      ]\n    },\n    \"issue\": \"3\"\n  },\n  \"alternative-id\": [\n    \"10.1021/acs.jpclett.9b03652\"\n  ],\n  \"URL\": \"http://dx.doi.org/10.1021/acs.jpclett.9b03652\",\n  \"relation\": {},\n  \"ISSN\": [\n    \"1948-7185\",\n    \"1948-7185\"\n  ],\n  \"issn-type\": [\n    {\n      \"value\": \"1948-7185\",\n      \"type\": \"print\"\n    },\n    {\n      \"value\": \"1948-7185\",\n      \"type\": \"electronic\"\n    }\n  ],\n  \"subject\": [\n    \"General Materials Science\"\n  ]\n}",
 "/QUESTDB_website/data/publis/10/1021/acs/jpclett/9b03652/abstract.html": "The search for new models rapidly delivering accurate excited-state energies and properties is one of the most active research lines of theoretical chemistry. Along with these developments, the performance of known methods is constantly reassessed on the basis of new benchmark values. In this Letter, we show that the third-order algebraic diagrammatic construction, ADC(3), does not yield transition energies of the same quality as the third-order coupled cluster method, CC3. This is demonstrated by extensive comparisons with several hundred high-quality vertical transition energies obtained with FCI, CCSDTQ, and CCSDT. Direct comparisons with experimental 0\u20130 energies of small- and medium-size molecules support the same conclusion, which holds for both valence and Rydberg transitions. Considering these results, we introduce a composite approach, ADC(2.5), which consists of averaging the ADC(2) and ADC(3) excitation energies. Although ADC(2.5) does not match the CC3 accuracy, it significantly improves the ADC(3) results, especially for vertical energies.",
 "/QUESTDB_website/data/publis/10/1021/acs/jctc/0c00227/metadata.json": "{\n  \"indexed\": {\n    \"date-parts\": [\n      [\n        2020,\n        8,\n        12\n      ]\n    ],\n    \"date-time\": \"2020-08-12T11:47:20Z\",\n    \"timestamp\": 1597232840029\n  },\n  \"reference-count\": 179,\n  \"publisher\": \"American Chemical Society (ACS)\",\n  \"issue\": \"6\",\n  \"funder\": [\n    {\n      \"DOI\": \"10.13039/501100001665\",\n      \"name\": \"Agence Nationale de la Recherche\",\n      \"doi-asserted-by\": \"publisher\",\n      \"award\": [\n        \"ANR-11-EQPX-0004\"\n      ]\n    },\n    {\n      \"DOI\": \"10.13039/501100004794\",\n      \"name\": \"Centre National de la Recherche Scientifique\",\n      \"doi-asserted-by\": \"publisher\",\n      \"award\": []\n    },\n    {\n      \"name\": \"Centre de Calcul Intensif des Pays de la Loire\",\n      \"award\": []\n    },\n    {\n      \"name\": \"GENCI-TGCC\",\n      \"award\": [\n        \"2019-A0060801738\"\n      ]\n    },\n    {\n      \"name\": \"CALMIP\",\n      \"award\": []\n    }\n  ],\n  \"content-domain\": {\n    \"domain\": [],\n    \"crossmark-restriction\": false\n  },\n  \"short-container-title\": [\n    \"J. Chem. Theory Comput.\"\n  ],\n  \"published-print\": {\n    \"date-parts\": [\n      [\n        2020,\n        6,\n        9\n      ]\n    ]\n  },\n  \"DOI\": \"10.1021/acs.jctc.0c00227\",\n  \"type\": \"journal-article\",\n  \"created\": {\n    \"date-parts\": [\n      [\n        2020,\n        5,\n        7\n      ]\n    ],\n    \"date-time\": \"2020-05-07T19:09:20Z\",\n    \"timestamp\": 1588878560000\n  },\n  \"page\": \"3720-3736\",\n  \"source\": \"Crossref\",\n  \"is-referenced-by-count\": 2,\n  \"title\": [\n    \"Mountaineering Strategy to Excited States: Highly Accurate Energies and Benchmarks for Exotic Molecules and Radicals\"\n  ],\n  \"prefix\": \"10.1021\",\n  \"volume\": \"16\",\n  \"author\": [\n    {\n      \"ORCID\": \"http://orcid.org/0000-0003-0598-7425\",\n      \"authenticated-orcid\": true,\n      \"given\": \"Pierre-Fran\\u00e7ois\",\n      \"family\": \"Loos\",\n      \"sequence\": \"first\",\n      \"affiliation\": [\n        {\n          \"name\": \"Laboratoire de Chimie et Physique Quantiques, CNRS, UPS, Universit\\u00e9 de Toulouse, 31000 Toulouse, France\"\n        }\n      ]\n    },\n    {\n      \"given\": \"Anthony\",\n      \"family\": \"Scemama\",\n      \"sequence\": \"additional\",\n      \"affiliation\": [\n        {\n          \"name\": \"Laboratoire de Chimie et Physique Quantiques, CNRS, UPS, Universit\\u00e9 de Toulouse, 31000 Toulouse, France\"\n        }\n      ]\n    },\n    {\n      \"ORCID\": \"http://orcid.org/0000-0001-6684-5223\",\n      \"authenticated-orcid\": true,\n      \"given\": \"Martial\",\n      \"family\": \"Boggio-Pasqua\",\n      \"sequence\": \"additional\",\n      \"affiliation\": [\n        {\n          \"name\": \"Laboratoire de Chimie et Physique Quantiques, CNRS, UPS, Universit\\u00e9 de Toulouse, 31000 Toulouse, France\"\n        }\n      ]\n    },\n    {\n      \"ORCID\": \"http://orcid.org/0000-0002-4217-0708\",\n      \"authenticated-orcid\": true,\n      \"given\": \"Denis\",\n      \"family\": \"Jacquemin\",\n      \"sequence\": \"additional\",\n      \"affiliation\": [\n        {\n          \"name\": \"CEISAM UMR 6230, CNRS, Universit\\u00e9 de Nantes, F-44000 Nantes, France\"\n        }\n      ]\n    }\n  ],\n  \"member\": \"316\",\n  \"published-online\": {\n    \"date-parts\": [\n      [\n        2020,\n        5,\n        7\n      ]\n    ]\n  },\n  \"container-title\": [\n    \"Journal of Chemical Theory and Computation\"\n  ],\n  \"original-title\": [],\n  \"language\": \"en\",\n  \"link\": [\n    {\n      \"URL\": \"https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00227\",\n      \"content-type\": \"unspecified\",\n      \"content-version\": \"vor\",\n      \"intended-application\": \"similarity-checking\"\n    }\n  ],\n  \"deposited\": {\n    \"date-parts\": [\n      [\n        2020,\n        6,\n        9\n      ]\n    ],\n    \"date-time\": \"2020-06-09T08:08:10Z\",\n    \"timestamp\": 1591690090000\n  },\n  \"score\": 1.0,\n  \"subtitle\": [],\n  \"short-title\": [],\n  \"issued\": {\n    \"date-parts\": [\n      [\n        2020,\n        5,\n        7\n      ]\n    ]\n  },\n  \"references-count\": 179,\n  \"journal-issue\": {\n    \"published-print\": {\n      \"date-parts\": [\n        [\n          2020,\n          6,\n          9\n        ]\n      ]\n    },\n    \"issue\": \"6\"\n  },\n  \"alternative-id\": [\n    \"10.1021/acs.jctc.0c00227\"\n  ],\n  \"URL\": \"http://dx.doi.org/10.1021/acs.jctc.0c00227\",\n  \"relation\": {},\n  \"ISSN\": [\n    \"1549-9618\",\n    \"1549-9626\"\n  ],\n  \"issn-type\": [\n    {\n      \"value\": \"1549-9618\",\n      \"type\": \"print\"\n    },\n    {\n      \"value\": \"1549-9626\",\n      \"type\": \"electronic\"\n    }\n  ],\n  \"subject\": [\n    \"Physical and Theoretical Chemistry\",\n    \"Computer Science Applications\"\n  ]\n}",
 "/QUESTDB_website/data/publis/10/1021/acs/jctc/0c00227/abstract.html": "Aiming at completing the sets of FCI-quality transition energies that we recently developed (<i>J. Chem. Theory Comput.</i><b>2018</b>, <i>14</i>, 4360\u20134379, <i>ibid.</i><b>2019</b>, <i>15</i>, 1939\u20131956, and <i>ibid.</i><b>2020</b>, <i>16</i>, 1711\u20131741), we provide, in the present contribution, ultra-accurate vertical excitation energies for a series of \u201cexotic\u201d closed-shell molecules containing F, Cl, P, and Si atoms and small radicals, such as CON and its variants, that were not considered to date in such investigations. This represents a total of 81 high-quality transitions obtained with a series of diffuse-containing basis sets of various sizes. For the exotic compounds, these transitions are used to perform benchmarks with a vast array of lower level models, i.e., CIS(D), EOM-MP2, (SOS/SCS)-CC2, STEOM-CCSD, CCSD, CCSDR(3), CCSDT-3, (SOS-)ADC(2), and ADC(3). Additional comparisons are made with literature data. For the open-shell compounds, we  compared the performance of both the unrestricted and the restricted open-shell CCSD and CC3 formalisms.",
 "/QUESTDB_website/data/publis/10/1021/acs/jctc/8b01205/metadata.json": "{\n  \"indexed\": {\n    \"date-parts\": [\n      [\n        2020,\n        10,\n        16\n      ]\n    ],\n    \"date-time\": \"2020-10-16T15:03:35Z\",\n    \"timestamp\": 1602860615930\n  },\n  \"reference-count\": 257,\n  \"publisher\": \"American Chemical Society (ACS)\",\n  \"issue\": \"3\",\n  \"funder\": [\n    {\n      \"name\": \"Region des Pays de la Loire\",\n      \"award\": []\n    }\n  ],\n  \"content-domain\": {\n    \"domain\": [],\n    \"crossmark-restriction\": false\n  },\n  \"short-container-title\": [\n    \"J. Chem. Theory Comput.\"\n  ],\n  \"published-print\": {\n    \"date-parts\": [\n      [\n        2019,\n        3,\n        12\n      ]\n    ]\n  },\n  \"DOI\": \"10.1021/acs.jctc.8b01205\",\n  \"type\": \"journal-article\",\n  \"created\": {\n    \"date-parts\": [\n      [\n        2019,\n        1,\n        29\n      ]\n    ],\n    \"date-time\": \"2019-01-29T03:40:39Z\",\n    \"timestamp\": 1548733239000\n  },\n  \"page\": \"1939-1956\",\n  \"source\": \"Crossref\",\n  \"is-referenced-by-count\": 32,\n  \"title\": [\n    \"Reference Energies for Double Excitations\"\n  ],\n  \"prefix\": \"10.1021\",\n  \"volume\": \"15\",\n  \"author\": [\n    {\n      \"ORCID\": \"http://orcid.org/0000-0003-0598-7425\",\n      \"authenticated-orcid\": true,\n      \"given\": \"Pierre-Fran\\u00e7ois\",\n      \"family\": \"Loos\",\n      \"sequence\": \"first\",\n      \"affiliation\": [\n        {\n          \"name\": \"Laboratoire de Chimie et Physique Quantiques (UMR 5626), Universit\\u00e9 de Toulouse, CNRS, UPS, 31062 Toulouse, France\"\n        }\n      ]\n    },\n    {\n      \"ORCID\": \"http://orcid.org/0000-0001-6684-5223\",\n      \"authenticated-orcid\": true,\n      \"given\": \"Martial\",\n      \"family\": \"Boggio-Pasqua\",\n      \"sequence\": \"additional\",\n      \"affiliation\": [\n        {\n          \"name\": \"Laboratoire de Chimie et Physique Quantiques (UMR 5626), Universit\\u00e9 de Toulouse, CNRS, UPS, 31062 Toulouse, France\"\n        }\n      ]\n    },\n    {\n      \"given\": \"Anthony\",\n      \"family\": \"Scemama\",\n      \"sequence\": \"additional\",\n      \"affiliation\": [\n        {\n          \"name\": \"Laboratoire de Chimie et Physique Quantiques (UMR 5626), Universit\\u00e9 de Toulouse, CNRS, UPS, 31062 Toulouse, France\"\n        }\n      ]\n    },\n    {\n      \"given\": \"Michel\",\n      \"family\": \"Caffarel\",\n      \"sequence\": \"additional\",\n      \"affiliation\": [\n        {\n          \"name\": \"Laboratoire de Chimie et Physique Quantiques (UMR 5626), Universit\\u00e9 de Toulouse, CNRS, UPS, 31062 Toulouse, France\"\n        }\n      ]\n    },\n    {\n      \"ORCID\": \"http://orcid.org/0000-0002-4217-0708\",\n      \"authenticated-orcid\": true,\n      \"given\": \"Denis\",\n      \"family\": \"Jacquemin\",\n      \"sequence\": \"additional\",\n      \"affiliation\": [\n        {\n          \"name\": \"Laboratoire CEISAM (UMR 6230), CNRS, Universit\\u00e9 de Nantes, 44399 Cedex 3 Nantes, France\"\n        }\n      ]\n    }\n  ],\n  \"member\": \"316\",\n  \"published-online\": {\n    \"date-parts\": [\n      [\n        2019,\n        1,\n        28\n      ]\n    ]\n  },\n  \"container-title\": [\n    \"Journal of Chemical Theory and Computation\"\n  ],\n  \"original-title\": [],\n  \"language\": \"en\",\n  \"link\": [\n    {\n      \"URL\": \"https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b01205\",\n      \"content-type\": \"unspecified\",\n      \"content-version\": \"vor\",\n      \"intended-application\": \"similarity-checking\"\n    }\n  ],\n  \"deposited\": {\n    \"date-parts\": [\n      [\n        2020,\n        4,\n        10\n      ]\n    ],\n    \"date-time\": \"2020-04-10T00:12:42Z\",\n    \"timestamp\": 1586477562000\n  },\n  \"score\": 1.0,\n  \"subtitle\": [],\n  \"short-title\": [],\n  \"issued\": {\n    \"date-parts\": [\n      [\n        2019,\n        1,\n        28\n      ]\n    ]\n  },\n  \"references-count\": 257,\n  \"journal-issue\": {\n    \"published-online\": {\n      \"date-parts\": [\n        [\n          2019,\n          1,\n          28\n        ]\n      ]\n    },\n    \"published-print\": {\n      \"date-parts\": [\n        [\n          2019,\n          3,\n          12\n        ]\n      ]\n    },\n    \"issue\": \"3\"\n  },\n  \"alternative-id\": [\n    \"10.1021/acs.jctc.8b01205\"\n  ],\n  \"URL\": \"http://dx.doi.org/10.1021/acs.jctc.8b01205\",\n  \"relation\": {},\n  \"ISSN\": [\n    \"1549-9618\",\n    \"1549-9626\"\n  ],\n  \"issn-type\": [\n    {\n      \"value\": \"1549-9618\",\n      \"type\": \"print\"\n    },\n    {\n      \"value\": \"1549-9626\",\n      \"type\": \"electronic\"\n    }\n  ],\n  \"subject\": [\n    \"Physical and Theoretical Chemistry\",\n    \"Computer Science Applications\"\n  ]\n}",
 "/QUESTDB_website/data/publis/10/1021/acs/jctc/8b01205/abstract.html": "Excited states exhibiting double-excitation character are notoriously difficult to model using conventional single-reference methods, such as adiabatic time-dependent density functional theory (TD-DFT) or equation-of-motion coupled cluster (EOM-CC). In addition, these states are typical experimentally \u201cdark\u201d, making their detection in photoabsorption spectra very challenging. Nonetheless, they play a key role in the faithful description of many physical, chemical, and biological processes. In the present work, we provide accurate reference excitation energies for transitions involving a substantial amount of double excitation using a series of increasingly large diffuse-containing atomic basis sets. Our set gathers 20 vertical transitions from 14 small- and medium-size molecules (acrolein, benzene, beryllium atom, butadiene, carbon dimer and trimer, ethylene, formaldehyde, glyoxal, hexatriene, nitrosomethane, nitroxyl, pyrazine, and tetrazine). Depending on the size of the molecule, selected configuration interaction (sCI) and/or multiconfigurational (CASSCF, CASPT2, (X)MS-CASPT2, and NEVPT2) calculations are performed in order to obtain reliable estimates of the vertical transition energies. In addition, coupled cluster approaches including at least contributions from iterative triples (such as CC3, CCSDT, CCSDTQ, and CCSDTQP) are assessed. Our results clearly evidence that the error in CC methods is intimately related to the amount of double-excitation character of the transition. For \u201cpure\u201d double excitations (i.e., for transitions which do not mix with single excitations), the error in CC3 can easily reach 1 eV, while it goes down to a few tenths of an electronvolt for more common transitions (such as in <i>trans</i>-butadiene) involving a significant amount of singles. As expected, CC approaches including quadruples yield highly accurate results for any type of transition. The quality of the excitation energies obtained with multiconfigurational methods is harder to predict. We have found that the overall accuracy of these methods is highly dependent on both the system and the selected active space. The inclusion of the \u03c3 and \u03c3* orbitals in the active space, even for transitions involving mostly \u03c0 and \u03c0* orbitals, is mandatory in order to reach high accuracy. A theoretical best estimate (TBE) is reported for each transition. We believe that these reference data will be valuable for future methodological developments aiming at accurately describing double excitations.",
 "/QUESTDB_website/data/publis/10/1021/acs/jctc/9b01216/metadata.json": "{\n  \"indexed\": {\n    \"date-parts\": [\n      [\n        2020,\n        10,\n        16\n      ]\n    ],\n    \"date-time\": \"2020-10-16T15:03:35Z\",\n    \"timestamp\": 1602860615929\n  },\n  \"reference-count\": 254,\n  \"publisher\": \"American Chemical Society (ACS)\",\n  \"issue\": \"3\",\n  \"funder\": [\n    {\n      \"DOI\": \"10.13039/501100001665\",\n      \"name\": \"Agence Nationale de la Recherche\",\n      \"doi-asserted-by\": \"publisher\",\n      \"award\": [\n        \"ANR-17-EURE-0009\"\n      ]\n    },\n    {\n      \"DOI\": \"10.13039/501100004794\",\n      \"name\": \"Centre National de la Recherche Scientifique\",\n      \"doi-asserted-by\": \"publisher\",\n      \"award\": []\n    },\n    {\n      \"name\": \"R?gion des Pays de la Loire\",\n      \"award\": []\n    }\n  ],\n  \"content-domain\": {\n    \"domain\": [],\n    \"crossmark-restriction\": false\n  },\n  \"short-container-title\": [\n    \"J. Chem. Theory Comput.\"\n  ],\n  \"published-print\": {\n    \"date-parts\": [\n      [\n        2020,\n        3,\n        10\n      ]\n    ]\n  },\n  \"DOI\": \"10.1021/acs.jctc.9b01216\",\n  \"type\": \"journal-article\",\n  \"created\": {\n    \"date-parts\": [\n      [\n        2020,\n        1,\n        27\n      ]\n    ],\n    \"date-time\": \"2020-01-27T21:41:36Z\",\n    \"timestamp\": 1580161296000\n  },\n  \"page\": \"1711-1741\",\n  \"source\": \"Crossref\",\n  \"is-referenced-by-count\": 15,\n  \"title\": [\n    \"A Mountaineering Strategy to Excited States: Highly Accurate Energies and Benchmarks for Medium Sized Molecules\"\n  ],\n  \"prefix\": \"10.1021\",\n  \"volume\": \"16\",\n  \"author\": [\n    {\n      \"ORCID\": \"http://orcid.org/0000-0003-0598-7425\",\n      \"authenticated-orcid\": true,\n      \"given\": \"Pierre-Fran\\u00e7ois\",\n      \"family\": \"Loos\",\n      \"sequence\": \"first\",\n      \"affiliation\": [\n        {\n          \"name\": \"Laboratoire de Chimie et Physique Quantiques, CNRS et Universit\\u00e9 Toulouse III - Paul Sabatier, 118 route de Narbonne, 31062 Toulouse, France\"\n        }\n      ]\n    },\n    {\n      \"ORCID\": \"http://orcid.org/0000-0002-4947-3912\",\n      \"authenticated-orcid\": true,\n      \"given\": \"Filippo\",\n      \"family\": \"Lipparini\",\n      \"sequence\": \"additional\",\n      \"affiliation\": [\n        {\n          \"name\": \"Dipartimento di Chimica e Chimica Industriale, University of Pisa, Via Moruzzi 3, 56124 Pisa, Italy\"\n        }\n      ]\n    },\n    {\n      \"ORCID\": \"http://orcid.org/0000-0001-6684-5223\",\n      \"authenticated-orcid\": true,\n      \"given\": \"Martial\",\n      \"family\": \"Boggio-Pasqua\",\n      \"sequence\": \"additional\",\n      \"affiliation\": [\n        {\n          \"name\": \"Laboratoire de Chimie et Physique Quantiques, CNRS et Universit\\u00e9 Toulouse III - Paul Sabatier, 118 route de Narbonne, 31062 Toulouse, France\"\n        }\n      ]\n    },\n    {\n      \"given\": \"Anthony\",\n      \"family\": \"Scemama\",\n      \"sequence\": \"additional\",\n      \"affiliation\": [\n        {\n          \"name\": \"Laboratoire de Chimie et Physique Quantiques, CNRS et Universit\\u00e9 Toulouse III - Paul Sabatier, 118 route de Narbonne, 31062 Toulouse, France\"\n        }\n      ]\n    },\n    {\n      \"ORCID\": \"http://orcid.org/0000-0002-4217-0708\",\n      \"authenticated-orcid\": true,\n      \"given\": \"Denis\",\n      \"family\": \"Jacquemin\",\n      \"sequence\": \"additional\",\n      \"affiliation\": [\n        {\n          \"name\": \"CEISAM Lab, UMR 6230, Universit\\u00e9 de Nantes, CNRS, F-44000 Nantes, France\"\n        }\n      ]\n    }\n  ],\n  \"member\": \"316\",\n  \"published-online\": {\n    \"date-parts\": [\n      [\n        2020,\n        1,\n        27\n      ]\n    ]\n  },\n  \"container-title\": [\n    \"Journal of Chemical Theory and Computation\"\n  ],\n  \"original-title\": [],\n  \"language\": \"en\",\n  \"link\": [\n    {\n      \"URL\": \"https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b01216\",\n      \"content-type\": \"unspecified\",\n      \"content-version\": \"vor\",\n      \"intended-application\": \"similarity-checking\"\n    }\n  ],\n  \"deposited\": {\n    \"date-parts\": [\n      [\n        2020,\n        4,\n        6\n      ]\n    ],\n    \"date-time\": \"2020-04-06T22:40:19Z\",\n    \"timestamp\": 1586212819000\n  },\n  \"score\": 1.0,\n  \"subtitle\": [],\n  \"short-title\": [],\n  \"issued\": {\n    \"date-parts\": [\n      [\n        2020,\n        1,\n        27\n      ]\n    ]\n  },\n  \"references-count\": 254,\n  \"journal-issue\": {\n    \"published-print\": {\n      \"date-parts\": [\n        [\n          2020,\n          3,\n          10\n        ]\n      ]\n    },\n    \"issue\": \"3\"\n  },\n  \"alternative-id\": [\n    \"10.1021/acs.jctc.9b01216\"\n  ],\n  \"URL\": \"http://dx.doi.org/10.1021/acs.jctc.9b01216\",\n  \"relation\": {},\n  \"ISSN\": [\n    \"1549-9618\",\n    \"1549-9626\"\n  ],\n  \"issn-type\": [\n    {\n      \"value\": \"1549-9618\",\n      \"type\": \"print\"\n    },\n    {\n      \"value\": \"1549-9626\",\n      \"type\": \"electronic\"\n    }\n  ],\n  \"subject\": [\n    \"Physical and Theoretical Chemistry\",\n    \"Computer Science Applications\"\n  ]\n}",
 "/QUESTDB_website/data/publis/10/1021/acs/jctc/9b01216/abstract.html": "<p class=\"articleBody_abstractText\">Following our previous work focusing on compounds containing up to 3 non-hydrogen atoms [<i>J. Chem. Theory Comput.</i><b>2018</b>, <i>14</i>, 4360\u20134379], we present here highly accurate vertical transition energies obtained for 27 molecules encompassing 4, 5, and 6 non-hydrogen atoms: acetone, acrolein, benzene, butadiene, cyanoacetylene, cyanoformaldehyde, cyanogen, cyclopentadiene, cyclopropenone, cyclopropenethione, diacetylene, furan, glyoxal, imidazole, isobutene, methylenecyclopropene, propynal, pyrazine, pyridazine, pyridine, pyrimidine, pyrrole, tetrazine, thioacetone, thiophene, thiopropynal, and triazine. To obtain these energies, we use equation-of-motion/linear-response coupled cluster theory up to the highest technically possible excitation order for these systems (CC3, EOM-CCSDT, and EOM-CCSDTQ) and selected configuration interaction (SCI) calculations (with tens of millions of determinants in the reference space), as well as the multiconfigurational <i>n</i>-electron valence state perturbation theory (NEVPT2) method. All these approaches are applied in combination with diffuse-containing atomic basis sets. For all transitions, we report at least CC3/<i>aug</i>-cc-pVQZ vertical excitation energies as well as CC3/<i>aug</i>-cc-pVTZ oscillator strengths for each dipole-allowed transition. We show that CC3 almost systematically delivers transition energies in agreement with higher-level methods with a typical deviation of \u00b10.04 eV, except for transitions with a dominant double excitation character where the error is much larger. The present contribution gathers a large, diverse, and accurate set of more than 200 highly accurate transition energies for states of various natures (valence, Rydberg, singlet, triplet, <i>n</i> \u2192 \u03c0*, \u03c0 \u2192 \u03c0*, ...). We use this series of theoretical best estimates to benchmark a series of popular methods for excited state calculations: CIS(D), ADC(2), CC2, STEOM-CCSD, EOM-CCSD, CCSDR(3), CCSDT-3, CC3, and NEVPT2. The results of these benchmarks are compared to the available literature data.</p>",
 "/QUESTDB_website/data/publis/10/1021/acs/jctc/8b00406/metadata.json": "{\n  \"indexed\": {\n    \"date-parts\": [\n      [\n        2020,\n        10,\n        16\n      ]\n    ],\n    \"date-time\": \"2020-10-16T15:03:35Z\",\n    \"timestamp\": 1602860615923\n  },\n  \"reference-count\": 170,\n  \"publisher\": \"American Chemical Society (ACS)\",\n  \"issue\": \"8\",\n  \"funder\": [\n    {\n      \"name\": \"R?gion des Pays de la Loire\",\n      \"award\": []\n    }\n  ],\n  \"content-domain\": {\n    \"domain\": [],\n    \"crossmark-restriction\": false\n  },\n  \"short-container-title\": [\n    \"J. Chem. Theory Comput.\"\n  ],\n  \"published-print\": {\n    \"date-parts\": [\n      [\n        2018,\n        8,\n        14\n      ]\n    ]\n  },\n  \"DOI\": \"10.1021/acs.jctc.8b00406\",\n  \"type\": \"journal-article\",\n  \"created\": {\n    \"date-parts\": [\n      [\n        2018,\n        7,\n        2\n      ]\n    ],\n    \"date-time\": \"2018-07-02T22:35:43Z\",\n    \"timestamp\": 1530570943000\n  },\n  \"page\": \"4360-4379\",\n  \"source\": \"Crossref\",\n  \"is-referenced-by-count\": 76,\n  \"title\": [\n    \"A Mountaineering Strategy to Excited States: Highly Accurate Reference Energies and Benchmarks\"\n  ],\n  \"prefix\": \"10.1021\",\n  \"volume\": \"14\",\n  \"author\": [\n    {\n      \"ORCID\": \"http://orcid.org/0000-0003-0598-7425\",\n      \"authenticated-orcid\": true,\n      \"given\": \"Pierre-Fran\\u00e7ois\",\n      \"family\": \"Loos\",\n      \"sequence\": \"first\",\n      \"affiliation\": [\n        {\n          \"name\": \"Laboratoire de Chimie et Physique Quantiques, Universit\\u00e9 de Toulouse, CNRS, UPS, 31013 Toulouse Cedex 6, France\"\n        }\n      ]\n    },\n    {\n      \"given\": \"Anthony\",\n      \"family\": \"Scemama\",\n      \"sequence\": \"additional\",\n      \"affiliation\": [\n        {\n          \"name\": \"Laboratoire de Chimie et Physique Quantiques, Universit\\u00e9 de Toulouse, CNRS, UPS, 31013 Toulouse Cedex 6, France\"\n        }\n      ]\n    },\n    {\n      \"given\": \"Aymeric\",\n      \"family\": \"Blondel\",\n      \"sequence\": \"additional\",\n      \"affiliation\": [\n        {\n          \"name\": \"Laboratoire CEISAM - UMR CNRS 6230, Universit\\u00e9 de Nantes, 2 Rue de la Houssini\\u00e8re, BP 92208, 44322 Nantes Cedex 3, France\"\n        }\n      ]\n    },\n    {\n      \"given\": \"Yann\",\n      \"family\": \"Garniron\",\n      \"sequence\": \"additional\",\n      \"affiliation\": [\n        {\n          \"name\": \"Laboratoire de Chimie et Physique Quantiques, Universit\\u00e9 de Toulouse, CNRS, UPS, 31013 Toulouse Cedex 6, France\"\n        }\n      ]\n    },\n    {\n      \"given\": \"Michel\",\n      \"family\": \"Caffarel\",\n      \"sequence\": \"additional\",\n      \"affiliation\": [\n        {\n          \"name\": \"Laboratoire de Chimie et Physique Quantiques, Universit\\u00e9 de Toulouse, CNRS, UPS, 31013 Toulouse Cedex 6, France\"\n        }\n      ]\n    },\n    {\n      \"ORCID\": \"http://orcid.org/0000-0002-4217-0708\",\n      \"authenticated-orcid\": true,\n      \"given\": \"Denis\",\n      \"family\": \"Jacquemin\",\n      \"sequence\": \"additional\",\n      \"affiliation\": [\n        {\n          \"name\": \"Laboratoire CEISAM - UMR CNRS 6230, Universit\\u00e9 de Nantes, 2 Rue de la Houssini\\u00e8re, BP 92208, 44322 Nantes Cedex 3, France\"\n        }\n      ]\n    }\n  ],\n  \"member\": \"316\",\n  \"published-online\": {\n    \"date-parts\": [\n      [\n        2018,\n        7,\n        2\n      ]\n    ]\n  },\n  \"container-title\": [\n    \"Journal of Chemical Theory and Computation\"\n  ],\n  \"original-title\": [],\n  \"language\": \"en\",\n  \"link\": [\n    {\n      \"URL\": \"https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00406\",\n      \"content-type\": \"unspecified\",\n      \"content-version\": \"vor\",\n      \"intended-application\": \"similarity-checking\"\n    }\n  ],\n  \"deposited\": {\n    \"date-parts\": [\n      [\n        2020,\n        4,\n        8\n      ]\n    ],\n    \"date-time\": \"2020-04-08T22:36:43Z\",\n    \"timestamp\": 1586385403000\n  },\n  \"score\": 1.0,\n  \"subtitle\": [],\n  \"short-title\": [],\n  \"issued\": {\n    \"date-parts\": [\n      [\n        2018,\n        7,\n        2\n      ]\n    ]\n  },\n  \"references-count\": 170,\n  \"journal-issue\": {\n    \"published-online\": {\n      \"date-parts\": [\n        [\n          2018,\n          6,\n          15\n        ]\n      ]\n    },\n    \"published-print\": {\n      \"date-parts\": [\n        [\n          2018,\n          8,\n          14\n        ]\n      ]\n    },\n    \"issue\": \"8\"\n  },\n  \"alternative-id\": [\n    \"10.1021/acs.jctc.8b00406\"\n  ],\n  \"URL\": \"http://dx.doi.org/10.1021/acs.jctc.8b00406\",\n  \"relation\": {},\n  \"ISSN\": [\n    \"1549-9618\",\n    \"1549-9626\"\n  ],\n  \"issn-type\": [\n    {\n      \"value\": \"1549-9618\",\n      \"type\": \"print\"\n    },\n    {\n      \"value\": \"1549-9626\",\n      \"type\": \"electronic\"\n    }\n  ],\n  \"subject\": [\n    \"Physical and Theoretical Chemistry\",\n    \"Computer Science Applications\"\n  ]\n}",
 "/QUESTDB_website/data/publis/10/1021/acs/jctc/8b00406/abstract.html": "Striving to define very accurate vertical transition energies, we perform both high-level coupled cluster (CC) calculations (up to CCSDTQP) and selected configuration interaction (sCI) calculations (up to several millions of determinants) for 18 small compounds (water, hydrogen sulfide, ammonia, hydrogen chloride, dinitrogen, carbon monoxide, acetylene, ethylene, formaldehyde, methanimine, thioformaldehyde, acetaldehyde, cyclopropene, diazomethane, formamide, ketene, nitrosomethane, and the smallest streptocyanine). By systematically increasing the order of the CC expansion, the number of determinants in the CI expansion as well as the size of the one-electron basis set, we have been able to reach near full CI (FCI) quality transition energies. These calculations are carried out on CC3/<i>aug</i>-cc-pVTZ geometries, using a series of increasingly large atomic basis sets systematically including diffuse functions. In this way, we define a list of 110 transition energies for states of various characters (valence, Rydberg, n \u2192 \u03c0<sup>*</sup>, \u03c0 \u2192 \u03c0*, singlet, triplet, etc.) to be used as references for further calculations. Benchmark transition energies are provided at the <i>aug</i>-cc-pVTZ level as well as with additional basis set corrections, in order to obtain results close to the complete basis set limit. These reference data are used to benchmark a series of 12 excited-state wave function methods accounting for double and triple contributions, namely ADC(2), ADC(3), CIS(D), CIS(D<sub>\u221e</sub>), CC2, STEOM-CCSD, CCSD, CCSDR(3), CCSDT-3, CC3, CCSDT., and CCSDTQ. It turns out that CCSDTQ yields a negligible difference with the extrapolated CI values with a mean absolute error as small as 0.01 eV, whereas the coupled cluster approaches including iterative triples are also very accurate (mean absolute error of 0.03 eV). Consequently, CCSDT-3 and CC3 can be used to define reliable benchmarks. This observation does not hold for ADC(3) that delivers quite large errors for this set of small compounds, with a clear tendency to overcorrect its second-order version, ADC(2). Finally, we discuss the possibility to use basis set extrapolation approaches so as to tackle more easily larger compounds.",
 "/QUESTDB_website/data/abs/butadiene_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.24          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R};\\pi \\rightarrow 3s)         6.44          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.14          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3p)         6.75          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3p)         6.92          _              _            false\n  1       1     A_g        2       1     B_u          (\\mathrm{R};\\pi \\rightarrow 3p)         7.79          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.37          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.16          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{R};\\pi \\rightarrow 3s)         6.38          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_FCI_aug-cc-pVDZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               3.99          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      7.11          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3p)                      8.04          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      8.12          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 3p)                      8.65          _              _            false\n  1       1     A_1        1       1     B_1          (\\sigma \\rightarrow \\pi^\\star)          9.29          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             9.53          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.58          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.10          _              _            false\n  1       1     A_1        1       3     B_2          (n \\rightarrow 3s)                      6.95          _              _            false\n  1       1     A_1        2       3     B_2          (n \\rightarrow 3p)                      7.87          _              _            false\n  1       1     A_1        2       3     A_1          (n \\rightarrow 3p)                      8.01          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3d)                      8.48          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.83          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.27          _              _            false\n  1       1     A_g        2       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.50          _              _            false\n  1       1     A_g        1       1     B_u          (\\mathrm{R}; n \\rightarrow 3p)          7.18          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.39          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.82          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.33          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.45          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CCSDTQP_aug-cc-pVDZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQP,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3s)                      6.48          _              _            false\n  1       1     A_1        1       1     E            (n \\rightarrow 3p)                      8.08          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      9.68          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 4s)                      10.41         _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3s)                      6.19          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.42          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.73          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.00          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.20          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.40          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.54          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.36          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.78          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.79          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.45          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.16          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.41          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.01          _              _            false\n  1       1     A_g        2       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.12          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.37          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.35          _              _            false\n",
 "/QUESTDB_website/data/abs/h2po_U-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{H2PO}\n# Comment  : \n# code     : \n# method   : U-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A^\\prime   1       2     A^{\\prime\\prime} _                                       2.91          _              _            false\n  1       2     A^\\prime   2       2     A^\\prime     _                                       4.26          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.24          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.94          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.51          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Propynal\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.81          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.20          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.45          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.10          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Propynal\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.96          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.71          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.53          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.71          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_TBE_aug-cc-pVTZ.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.78          87.6           0.000        false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.69          91.2           0.344        false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.72          79.4           0.000        true\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          7.08          89.4           0.109        false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.51          97.0           _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.94          98.6           _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.18          98.4           _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.54          92.7           _            true\n",
 "/QUESTDB_website/data/abs/imidazole_CC3_6-31+G(d).dat": "# Molecule : Imidazole\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\pi \\rightarrow 3s)                    5.77          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             6.51          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               6.66          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi \\rightarrow 3p)                    7.04          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             4.83          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\pi \\rightarrow 3s)                    5.72          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.88          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               6.48          _              _            false\n",
 "/QUESTDB_website/data/abs/furan_CC2_aug-cc-pVTZ.dat": "# Molecule : Furan\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.06          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.45          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.77          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.59          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.75          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.25          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.43          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.66          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.01          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.55          _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime    1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.31          _              _            false\n",
 "/QUESTDB_website/data/abs/allyl_RO-CCSD_aug-cc-pVTZ.dat": "# Molecule : Allyl\n# Comment  : \n# code     : \n# method   : RO-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A_2        1       2     B_1          _                                       3.48          _              _            false\n  1       2     A_2        1       2     A_1          _                                       5.01          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.07          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : MRCC\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.52          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.98          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.12         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.99         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.53         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.73         _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_CC3_6-31+G(d).dat": "# Molecule : Isobutene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    6.77          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow 3p)                    7.16          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.52          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_CASPT2_aug-cc-pVQZ_double.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   7.80          _              _            false\n  1       1     A_g        3       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.77          _              _            false\n",
 "/QUESTDB_website/data/abs/cf2_CC3_aug-cc-pVDZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.12          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.71          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.11          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.88          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.37          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s)           7.14          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.81          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.11          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.33          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.25          _              _            true\n",
 "/QUESTDB_website/data/abs/carbon_dimer_FCI_aug-cc-pVDZ_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.21          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.50          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_CC3_6-31+G(d).dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               4.32          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               5.68          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.39          _              _            false\n  1       1     A_1        2       1     B_2          _                                       6.70          _              _            false\n  1       1     A_1        3       1     B_2          (n \\rightarrow 3p)                      6.92          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      7.00          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             8.51          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               4.02          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.92          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               5.48          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.89          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : CFOUR\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               2.87          _              _            false\n  1       1     A_g        1       1     B_g          (n \\rightarrow \\pi^\\star)               4.27          _              _            false\n  1       1     A_g        2       1     A_g          (n,n  \\rightarrow \\pi^\\star,\\pi^\\star)  6.74          _              _            true\n  1       1     A_g        2       1     B_g          (n \\rightarrow \\pi^\\star)               6.58          _              _            false\n  1       1     A_g        1       1     B_u          (n \\rightarrow3p)                       7.73          _              _            false\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               2.49          _              _            false\n  1       1     A_g        1       3     B_g          (n \\rightarrow \\pi^\\star)               3.90          _              _            false\n  1       1     A_g        1       3     B_u          (\\pi \\rightarrow \\pi^\\star)             5.17          _              _            false\n  1       1     A_g        1       3     A_g          (\\pi \\rightarrow \\pi^\\star)             6.30          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.80          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s/3p)        6.51          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    0.99          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.04          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.24          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.34          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.35          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.65          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.78          _              _            false\n  1       1     A_g        2       1     B_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.71          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.55          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.33          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.31          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_CC3_aug-cc-pVDZ.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               4.22          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               5.59          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.21          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.56          _              _            false\n  1       1     A_1        3       1     B_2          (n \\rightarrow 3p)                      6.88          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      6.88          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             8.32          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               3.90          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.90          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               5.38          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.79          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_FCI_aug-cc-pVTZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (n \\rightarrow \\pi^\\star)               8.49          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\pi \\rightarrow \\pi^\\star)             9.92          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\pi \\rightarrow \\pi^\\star)             10.06         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.95         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.52         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.72         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (n \\rightarrow \\pi^\\star)               6.28          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\pi \\rightarrow \\pi^\\star)             8.45          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\pi \\rightarrow \\pi^\\star)             9.27          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\pi \\rightarrow \\pi^\\star)             9.80          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.47         _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Formamide\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.63          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (n \\rightarrow 3s)                      6.74          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (n \\rightarrow 3p)                      7.38          _              _            true\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.15          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.87          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.28          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.81          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.26          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.67          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.98          94.5           _            false\n",
 "/QUESTDB_website/data/abs/silylidene_CC3_aug-cc-pVQZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.16          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.79          _              _            false\n",
 "/QUESTDB_website/data/abs/oh_RO-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{OH}\n# Comment  : \n# code     : \n# method   : RO-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Pi        1       2     \\Sigma^+     _                                       4.13          _              _            false\n  1       2     \\Pi        1       2     \\Sigma^-     _                                       7.66          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CASPT2_aug-cc-pVDZ_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.38         _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.61          _              0.002        false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.35          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.20          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.28          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_CCSDTQP_aug-cc-pVDZ_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : CCSDTQP,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.21          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.50          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.47          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_CCSDT_aug-cc-pVTZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.55          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_CC3_aug-cc-pVTZ.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.68          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.73          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.34          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.40          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_FCI_aug-cc-pVDZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3s)                      6.48          _              _            false\n  1       1     A_1        1       1     E            (n \\rightarrow 3p)                      8.08          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      9.68          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 4s)                      10.41         _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3s)                      6.19          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_TBE_aug-cc-pVTZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : MRCC\n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.84          94.3           0.056        false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.97          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.29          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.95          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.32          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.53          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.20          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.48          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.90          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CC3_aug-cc-pVQZ_double.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.74          2              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (n \\rightarrow \\pi^\\star)               9.41          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             10.06         _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             10.43         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            13.18         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.13         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.11         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.56         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\pi \\rightarrow \\pi^\\star)             7.69          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (n \\rightarrow \\pi^\\star)               8.05          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             8.96          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             9.75          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_CC3_aug-cc-pV5Z.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.49          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_CC3_aug-cc-pVTZ.dat": "# Molecule : Propynal\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.82          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.51          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.49          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.43          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.01          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_CIS(D\u221e)_aug-cc-pVTZ.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : MRCC\n# method   : CIS(D\u221e),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.75          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.86          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.45          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.45          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_CCSDTQ_6-31+G(d)_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.35          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     6.02          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : MOLPRO\n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               4.55          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               4.84          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             5.53          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow \\pi^\\star)               6.02          _              _            false\n  1       1     A_1        2       1     B_1          (n \\rightarrow \\pi^\\star)               6.40          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3s)                      6.77          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             7.11          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               4.17          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.67          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               4.72          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             5.01          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_CCSDTQ_6-31+G(d).dat": "# Molecule : Methanimine\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.33          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.72          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_CC3_6-31+G(d)_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     E_{2g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.50          72             _            false\n",
 "/QUESTDB_website/data/abs/hcf_CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.49          _              0.006        false\n",
 "/QUESTDB_website/data/abs/benzene_MS-CASPT2_aug-cc-pVTZ_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : MS-CASPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     2       1     A_{1g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 10.96         _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.83          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R})                            6.29          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.11          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.46          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Ketene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.11          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           6.03          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.18          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.92          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.67          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.85          _              _            false\n  1       1     A_1        2       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.15          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.42          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.67          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.28          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.32          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.45          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.23          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.04          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.62          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.23          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CCSDTQ_aug-cc-pVTZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.38          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.91          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.05          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.53          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.25          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.99          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : MOLPRO\n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               2.05          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.81          _              _            false\n",
 "/QUESTDB_website/data/abs/ch3_U-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{CH3}\n# Comment  : \n# code     : \n# method   : U-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A_2^{\\prime\\prime} 1       2     A_1^\\prime   _                                       5.89          _              _            false\n  1       2     A_2^{\\prime\\prime} 1       2     E^\\prime     _                                       7.00          _              _            false\n  1       2     A_2^{\\prime\\prime} 2       2     E^\\prime     _                                       7.21          _              _            false\n  1       2     A_2^{\\prime\\prime} 2       2     A_2^{\\prime\\prime} _                                       7.67          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_CC3(Full)_d-aug-cc-pV5Z.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             7.09          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             7.42          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\pi \\rightarrow \\pi^\\star)             5.53          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             6.40          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             7.08          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_CASPT2_aug-cc-pVDZ_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     E_{2g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.40          _              _            false\n  1       1     A_{1g}     2       1     A_{1g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 10.38         _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.23          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.91          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.96          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.30          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.47          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.89          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.72          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.20          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.66          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.86          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_TBE_aug-cc-pVTZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.11          92.3           _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.78          88.0           _            false\n",
 "/QUESTDB_website/data/abs/water_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Water\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           7.45          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           9.17          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3s)           9.82          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3s)           7.15          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3p)           9.07          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R};n \\rightarrow 3s)           9.48          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_SC-NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.90          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CC2_aug-cc-pVTZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : MRCC\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 4p)           6.35          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 4s)           6.30          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 4p)           5.91          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 4s)           5.94          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_CIS(D\u221e)_aug-cc-pVTZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : MRCC\n# method   : CIS(D\u221e),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.29          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.61          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_FCI_aug-cc-pVTZ_double.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.76          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.17          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.70          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.82          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.94          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.00          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.60          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.91          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_TBE_aug-cc-pVTZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : MRCC\n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.23          90.7           0.003        false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.65          98.1           _            false\n",
 "/QUESTDB_website/data/abs/isobutene_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    6.46          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow 3p)                    7.01          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_SCS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : SCS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.61          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CC3_d-aug-cc-pVTZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : Dalton\n# method   : CC3,d-aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.83          _              _            false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.90          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.25          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.65          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.23          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.63          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.13          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.80          _              _            false\n",
 "/QUESTDB_website/data/abs/h2bo_RO-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{H2BO}\n# Comment  : \n# code     : \n# method   : RO-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_2        1       2     B_1          _                                       2.13          _              _            false\n  1       2     B_2        1       2     A_1          _                                       3.51          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               3.99          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      7.04          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3p)                      8.00          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      8.07          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 3p)                      8.63          _              _            false\n  1       1     A_1        1       1     B_1          (\\sigma \\rightarrow \\pi^\\star)          9.29          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             9.59          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.57          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.08          _              _            false\n  1       1     A_1        1       3     B_2          (n \\rightarrow 3s)                      6.90          _              _            false\n  1       1     A_1        2       3     B_2          (n \\rightarrow 3p)                      7.82          _              _            false\n  1       1     A_1        2       3     A_1          (n \\rightarrow 3p)                      7.95          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3d)                      8.47          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CCSDTQP_aug-cc-pVDZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQP,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (n \\rightarrow \\pi^\\star)               8.56          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\pi \\rightarrow \\pi^\\star)             10.06         _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\pi \\rightarrow \\pi^\\star)             10.17         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.92         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.51         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.75         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (n \\rightarrow \\pi^\\star)               6.28          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\pi \\rightarrow \\pi^\\star)             8.44          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\pi \\rightarrow \\pi^\\star)             9.34          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.41         _              _            false\n",
 "/QUESTDB_website/data/abs/cn_U-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{CN}\n# Comment  : \n# code     : \n# method   : U-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Sigma^+   1       2     \\Pi          _                                       1.40          _              _            false\n  1       2     \\Sigma^+   2       2     \\Sigma^+     _                                       3.31          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.59          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.11         _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.56         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            13.38         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.64         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.49         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.83         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.04          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.23          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.13          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.99          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_FCI_6-31+G(d).dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.92          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             6.60          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.48          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.63          _              _            false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           8.21          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           9.38          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 4s)           10.00         _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.31          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_CC3_aug-cc-pVDZ.dat": "# Molecule : Formamide\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.71          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (n \\rightarrow 3s)                      6.65          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             7.63          _              _            true\n  1       1     A^\\prime   4       1     A^\\prime     (n \\rightarrow 3p)                      7.31          _              _            true\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.42          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.83          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CCSDTQ_aug-cc-pVDZ_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.07         _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.35          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.91          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Pyridine\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               5.00          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             5.18          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               5.41          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.63          _              _            false\n  1       1     A_1        3       1     A_1          (n \\rightarrow 3s)                      6.71          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3s)                    6.75          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow \\pi^\\star)             7.42          _              _            false\n  1       1     A_1        2       1     B_1          (\\pi \\rightarrow 3p)                    7.32          _              _            false\n  1       1     A_1        4       1     A_1          (\\pi \\rightarrow \\pi^\\star)             7.34          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.31          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               4.47          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.83          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               5.36          _              _            false\n  1       1     A_1        2       3     B_2          (\\pi \\rightarrow \\pi^\\star)             6.29          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.68          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.74          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          6.35          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.33          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.05          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.31          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.48          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.98          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.14          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.59          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.41          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.12          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_TBE(Full)_CBS.dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.45          88.6           0.005        false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.86          88.5           _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.37          86.3           0.028        false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.92          86.7           _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.27          86.7           0.005        false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.74          90.3           0.005        false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.87          91.5           0.036        false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.10          96.8           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.52          98.3           _            true\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.67          96.5           _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.96          97.4           _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           6.31          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3p)           6.35          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3p)           5.92          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3p)           6.00          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Acetone\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.48          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.46          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          7.47          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          7.52          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          7.61          _              _            false\n",
 "/QUESTDB_website/data/abs/imidazole_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Imidazole\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.81          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.73          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.52          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R}; \\pi \\rightarrow 3p)        7.40          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.04          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.80          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.06          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.47          _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.45          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.00          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.53          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : MOLPRO\n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.76          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             6.67          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               7.16          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (n \\rightarrow 3s)                      7.05          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.46          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             3.95          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             6.23          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               6.83          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_TBE_aug-cc-pVTZ.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.53          88.9           _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 4s)          5.56          91.3           0.052        false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.88          90.6           0.242        false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 4p)          6.51          92.4           0.028        false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 4p)          6.61          91.6           0.023        false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.33          97.4           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.45          98.7           _            false\n",
 "/QUESTDB_website/data/abs/hcf_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.47          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.50          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_TBE_aug-cc-pVTZ.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.22          93.3           0.664        false\n  1       1     A_g        1       1     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.33          94.1           _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.50          75.1           _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.64          94.1           0.001        false\n  1       1     A_g        2       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.80          94.1           0.049        false\n  1       1     A_g        2       1     B_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.68          93.8           0.055        false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.36          98.4           _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.20          98.7           _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.29          97.9           _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CCSDT_6-31+G(d).dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.67          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.13         _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.23         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.92         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.57         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.86         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.34          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.47          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.39          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.36         _              _            false\n",
 "/QUESTDB_website/data/abs/imidazole_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Imidazole\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.91          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.76          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.66          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R}; \\pi \\rightarrow 3p)        6.92          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.66          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.87          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.60          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.28          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_CC3(SC)_aug-cc-pVQZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : CC3(SC),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.55          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_TBE(Full)_CBS.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : MRCC\n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.66          93.5           0.086        false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           8.21          93.7           0.006        false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.65          94.0           0.003        false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 4s)           9.19          93.6           0.008        false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.37          98.2           _            false\n",
 "/QUESTDB_website/data/abs/ethylene_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : MRCC\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.42          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.10          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.36          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.31          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.08          _              _            false\n",
 "/QUESTDB_website/data/abs/water_TBE(Full)_CBS.dat": "# Molecule : Water\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.70          93.4           0.054        false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          9.47          93.6           _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.97          93.6           0.100        false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.33          98.1           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; n \\rightarrow 3p)          9.30          98.0           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.59          98.2           _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.51          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.92          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.47          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.03          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.34          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.77          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.91          _              _            false\n",
 "/QUESTDB_website/data/abs/beryllium_CCSDT_aug-cc-pVTZ_double.dat": "# Molecule : Beryllium\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVTZ\n# geom     : \n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     S          1       1     D            (2s,2s \\rightarrow 2p,2p)               7.15          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_CC2_aug-cc-pVTZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.37          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.85          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.64          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.99          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.38          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.19          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.47          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.67          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.89          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.32          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.75          _              _            true\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.86          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.13          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CCSDT_aug-cc-pVTZ_double.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.29          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_TBE(Full)_CBS.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.49          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.96          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.73          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (n \\rightarrow 3s/3p)                   6.36          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.14          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.52          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_PC-NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.52          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_CC3(Full)_d-aug-cc-pVQZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.06          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    5.50          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.83          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow \\pi^\\star)             2.83          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.03          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3s)                    5.36          _              _            false\n  1       1     A_1        2       3     A_1          (\\pi \\rightarrow 3p)                    6.70          _              _            false\n",
 "/QUESTDB_website/data/abs/cf2_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 4.90          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.61          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Benzene\n# Comment  : \n# code     : MOLPRO\n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.32          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             6.43          _              _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\pi \\rightarrow 3s)                    6.75          _              _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\pi \\rightarrow 3p)                    7.40          _              _            false\n  1       1     A_{1g}     1       1     E_{2u}       (\\pi \\rightarrow 3p)                    7.45          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.32          _              _            false\n  1       1     A_{1g}     1       3     E_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.92          _              _            false\n  1       1     A_{1g}     1       3     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.51          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_CCSDT_6-31+G(d)_double.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi\\rightarrow \\pi^\\star,\\pi^\\star) 5.64          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           6.30          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3p)           6.39          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3p)           5.93          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3p)           6.05          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.87          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.50          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.83          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.73          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.37          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.27          _              _            false\n",
 "/QUESTDB_website/data/abs/nco_RO-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{NCO}\n# Comment  : \n# code     : \n# method   : RO-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Pi        1       2     \\Sigma^+     _                                       2.94          _              _            false\n  1       2     \\Pi        2       2     \\Pi          _                                       5.02          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.63          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         5.83          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.41          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.48          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.58          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.05          _              _            true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.45          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.16          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         5.80          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.39          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_CCSDT_6-31+G(d)_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.69          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.86          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.09          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           6.25          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.44          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.99          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.71          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3p)           6.11          _              _            false\n  1       1     A_1        2       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.42          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.71          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.01          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.28          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.05          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.94          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.91          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.66          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.35          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.17          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.81          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.52          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.65          _              _            true\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.65          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.47          _              _            false\n  1       1     A_g        2       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.53          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.62          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_TBE_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.26          87.7           0.000        false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.55          91.0           _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.34          90.8           0.003        false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.54          86.5           0.047        false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          6.98          91.1           0.018        false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          7.02          91.2           0.003        false\n  1       1     A_1        3       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.28          90.8           0.320        false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.93          96.0           _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.88          97.9           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.35          97.5           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.79          98.1           _            false\n",
 "/QUESTDB_website/data/abs/acetylene_CCSDT_6-31+G(d).dat": "# Molecule : Acetylene\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.40          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.73          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.51          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.57          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.28          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.38          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.53          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.02          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.31          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.64          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.56          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.18          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.95          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.81          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.31          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.27          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.77          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.15          _              _            false\n  1       1     A_g        2       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.13          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.70          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_PC-NEVPT2_6-31+G(d)_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.84         _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_CC3_aug-cc-pVQZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.96          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_FCI_aug-cc-pVDZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.95          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.47          _              _            false\n",
 "/QUESTDB_website/data/abs/imidazole_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Imidazole\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{R};\\pi \\rightarrow 3s)         5.90          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.55          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.63          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.91          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{R};\\pi \\rightarrow 3s)         5.89          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.83          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.57          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_FCI_aug-cc-pVDZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (n \\rightarrow \\pi^\\star)               9.41          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             10.05         _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             10.43         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            13.18         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.12         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.11         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.56         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\pi \\rightarrow \\pi^\\star)             7.70          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (n \\rightarrow \\pi^\\star)               8.05          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             8.96          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             9.75          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.87          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.16          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.36          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.17          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.00          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           5.80          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.35          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.67          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.25          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           5.59          _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime    1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.31          _              _            false\n  1       1     A^\\prime    1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.96          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c3_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C3\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.85          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.59          93.7           _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.40          88.3           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.22          98.6           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.31          96.1           _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CC3_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.96          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.76          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (n \\rightarrow 3s/3p)                   6.31          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.14          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.51          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_exp.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (n \\rightarrow \\pi^\\star)               3.93          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             4.8           _              _            false\n  1       1     A_g        1       1     B_{2g}       (n \\rightarrow \\pi^\\star)               5.19          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             6.5           _              _            false\n  1       1     A_g        1       3     B_{3u}       (n \\rightarrow \\pi^\\star)               3.33          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.04          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             4.4           _              _            true\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               4.2           _              _            false\n  1       1     A_g        1       3     B_{2g}       (n \\rightarrow \\pi^\\star)               4.49          _              _            false\n",
 "/QUESTDB_website/data/abs/cf2_CCSDT_aug-cc-pVDZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.11          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.70          _              _            false\n",
 "/QUESTDB_website/data/abs/h2po_U-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{H2PO}\n# Comment  : \n# code     : \n# method   : U-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A^\\prime   1       2     A^{\\prime\\prime} _                                       2.83          _              _            false\n  1       2     A^\\prime   2       2     A^\\prime     _                                       4.21          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.38          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.75          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.22          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.75          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           6.87          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           6.86          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.34          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.12          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.05          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.58          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.05          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.16          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.98          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.78          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.25          _              _            false\n",
 "/QUESTDB_website/data/abs/hoc_RO-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{HOC}\n# Comment  : \n# code     : \n# method   : RO-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A^\\prime   1       2     A^{\\prime\\prime} _                                       0.93          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3s)                      6.61          _              _            false\n  1       1     A_1        1       1     E            (n \\rightarrow 3p)                      8.18          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      9.11          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 4s)                      9.77          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3s)                      6.34          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Acetone\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.31          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.34          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           7.27          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.32          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.41          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.04          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.22          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacrolein_CC3_aug-cc-pVTZ.dat": "# Molecule : Thioacrolein\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.14          86.4           0.000        false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.93          96.9           _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               2.03          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CCSDT_aug-cc-pVQZ_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.80         _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_FCI_aug-cc-pVDZ_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.21          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.88          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CC2_aug-cc-pVTZ.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.91          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.44          _              _            false\n  1       1     A_g        2       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.51          _              _            false\n  1       1     A_g        1       1     B_u          (\\mathrm{R}; n \\rightarrow 3p)          7.16          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.47          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.96          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.42          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.56          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_CCSDTQ_6-31+G(d).dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.07          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.71          _              _            false\n",
 "/QUESTDB_website/data/abs/ph2_RO-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{PH2}\n# Comment  : \n# code     : \n# method   : RO-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_1        1       2     A_1          _                                       2.77          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_PC-NEVPT2_6-31+G(d)_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.33          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.54          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_CC3_d-aug-cc-pVQZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     _                                       5.79          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       _                                       6.06          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     _                                       4.46          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       _                                       5.22          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.23          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.91          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.48          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.94          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.38          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.72          _              _            false\n",
 "/QUESTDB_website/data/abs/furan_TBE(Full)_CBS.dat": "# Molecule : Furan\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.11          93.8           _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.37          93.0           0.163        false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.56          92.4           0.000        false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.66          93.9           0.038        false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.83          93.6           _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.14          93.5           0.008        false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.20          98.4           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.47          98.1           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.05          97.9           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.61          97.9           _            false\n",
 "/QUESTDB_website/data/abs/acetone_CC3_aug-cc-pVTZ.dat": "# Molecule : Acetone\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.48          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.43          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          7.45          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          7.48          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          7.59          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.15          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.28          _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.72          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.10          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         6.32          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.52          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.40          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         6.66          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.47          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.63          _              _            true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.06          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.85          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.41          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         6.30          _              _            false\n",
 "/QUESTDB_website/data/abs/f2bs_RO-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{F2BS}\n# Comment  : \n# code     : \n# method   : RO-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_2        1       2     B_1          _                                       0.49          _              _            false\n  1       2     B_2        1       2     A_1          _                                       3.01          _              _            false\n",
 "/QUESTDB_website/data/abs/octatetraene_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Octatetraene\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.78          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.24          _              _            true\n",
 "/QUESTDB_website/data/abs/pyrrole_TBE(Full)_CBS.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.27          92.9           _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.03          92.4           0.015        false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.02          93.0           _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.23          92.5           0.164        false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.29          86.3           0.001        false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.74          92.6           0.003        false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.51          98.3           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.24          97.6           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.46          97.8           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.94          97.4           _            false\n",
 "/QUESTDB_website/data/abs/beryllium_NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Beryllium\n# Comment  : \n# code     : \n# method   : NEVPT2,aug-cc-pVQZ\n# geom     : \n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     S          1       1     D            (2s,2s \\rightarrow 2p,2p)               7.10          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_CC2_aug-cc-pVTZ.dat": "# Molecule : Formamide\n# Comment  : \n# code     : MRCC\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.69          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s)           6.31          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.55          _              _            true\n  1       1     A^\\prime   4       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3p)           6.89          _              _            true\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.36          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.99          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.10          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.44          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.63          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.44          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.11          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.37          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.53          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.00          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.08          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.25          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.40          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         7.04          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.76          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.45          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.01          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.21          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.67          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.78          _              _            false\n",
 "/QUESTDB_website/data/abs/water_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Water\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           7.58          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           9.35          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3s)           9.91          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3s)           7.18          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3p)           9.19          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R};n \\rightarrow 3s)           9.45          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_TBE(Full)_CBS.dat": "# Molecule : Propynal\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.81          89.0           0.000        false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.53          92.9           0.000        false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.48          97.4           _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.48          98.3           _            false\n",
 "/QUESTDB_website/data/abs/h2bo_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{H2BO}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_2        1       2     B_1          _                                       2.15          _              _            false\n  1       2     B_2        1       2     A_1          _                                       3.49          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.37          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.66          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.10          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.79          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienethione_TBE_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienethione\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.70          87.2           _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.63          85.3           0.000        false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};double)                     3.16          1.1            0.000        true\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.96          89.2           0.378        false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};double)                     5.43          51.7           0.003        true\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.47          97.0           _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.88          97.1           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.51          98.1           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};double)                     3.13          4.2            _            true\n",
 "/QUESTDB_website/data/abs/isobutene_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : MOLPRO\n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    6.63          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow 3p)                    7.20          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.61          _              _            false\n",
 "/QUESTDB_website/data/abs/water_CC3_d-aug-cc-pVQZ.dat": "# Molecule : Water\n# Comment  : \n# code     : Dalton\n# method   : CC3,d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow 3s)                      7.65          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3p)                      9.42          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3s)                      9.94          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3s)                      7.28          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3p)                      9.26          _              _            false\n  1       1     A_1        1       3     A_1          (n \\rightarrow 3s)                      9.56          _              _            false\n",
 "/QUESTDB_website/data/abs/benzoquinone_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Benzoquinone\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.92          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.08          _              _            false\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.62          _              _            true\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.22          _              _            true\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.64          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.81          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.88          _              _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.24          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CCSDT_6-31+G(d).dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.01          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.23          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           8.01          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.29          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           8.68          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 9.34          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.83          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.65          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.09          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.06          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.82          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.15          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3d)           8.52          _              _            false\n",
 "/QUESTDB_website/data/abs/diazirine_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Diazirine\n# Comment  : \n# code     : \n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.82          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 7.00          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           7.34          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.97          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.20          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.65          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.80          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           6.68          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Formamide\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.66          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.35          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.91          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.50          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 4s)          5.65          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.53          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 4p)          6.53          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 4p)          6.64          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.26          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.17          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_CC3(Full)_d-aug-cc-pVQZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               2.21          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 4s)                      5.94          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.45          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               1.94          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             3.39          _              _            false\n  1       1     A_1        1       3     B_2          (n \\rightarrow 4s)                      5.74          _              _            false\n",
 "/QUESTDB_website/data/abs/cf2_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.13          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.79          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.54          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienethione_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienethione\n# Comment  : \n# code     : \n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.62          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.81          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.85          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.31          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.99          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.55          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_CCSD_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.88          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.15          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.38          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.24          _              _            false\n",
 "/QUESTDB_website/data/abs/imidazole_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Imidazole\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.69          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.51          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.47          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.94          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.66          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.94          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.36          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.22          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.33          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.67          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.64          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.80          _              _            false\n  1       1     A_g        2       1     B_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.68          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.36          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.20          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.28          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_XMS-CASPT2_aug-cc-pVQZ_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : XMS-CASPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     2       1     A_{1g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 10.54         _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CC3_6-31+G(d).dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 4p)           6.47          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 4s)           6.05          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 4p)           6.01          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 4s)           5.66          _              _            false\n",
 "/QUESTDB_website/data/abs/ch3_RO-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{CH3}\n# Comment  : \n# code     : \n# method   : RO-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A_2^{\\prime\\prime} 1       2     A_1^\\prime   _                                       5.87          _              _            false\n  1       2     A_2^{\\prime\\prime} 1       2     E^\\prime     _                                       6.98          _              _            false\n  1       2     A_2^{\\prime\\prime} 2       2     E^\\prime     _                                       7.20          _              _            false\n  1       2     A_2^{\\prime\\prime} 2       2     A_2^{\\prime\\prime} _                                       7.66          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_CCSD_aug-cc-pVTZ.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.41          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.67          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.01          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.82          _              _            false\n",
 "/QUESTDB_website/data/abs/imidazole_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Imidazole\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.75          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.50          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.51          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.92          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.72          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.93          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.31          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.57          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.97          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.58          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.06          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   7.22          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.23          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.07          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.31          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.91          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.01          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.23          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CCSDT_aug-cc-pVQZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (n \\rightarrow \\pi^\\star)               9.31          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             9.88          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             10.28         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            12.89         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.09         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.37         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\pi \\rightarrow \\pi^\\star)             7.71          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (n \\rightarrow \\pi^\\star)               8.04          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             8.87          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.44          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.44          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 0.95          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.34          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.35          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.63          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.25          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.30          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.41          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.05          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.86          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.57          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.20          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.34          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.88          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.29         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            13.01         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.22         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.12         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.49         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.68          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.04          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.87          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.68          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Formamide\n# Comment  : \n# code     : MRCC\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.58          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s)           6.82          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.84          _              _            true\n  1       1     A^\\prime   4       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3p)           6.89          _              _            true\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.31          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.07          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.53          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_TBE_aug-cc-pVTZ.dat": "# Molecule : Acetone\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.47          91.1           _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.46          90.5           0.000        false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          7.47          90.9           _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          7.51          90.6           0.004        false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          7.62          91.2           0.029        false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.13          97.8           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.25          98.7           _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.99          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.72          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V};n,n \\rightarrow \\pi^\\star,\\pi^\\star) 3.00          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s/3p)        6.48          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    0.84          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.04          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.35          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.33          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.23          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.26          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.59          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.76          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.60          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.29          _              _            false\n",
 "/QUESTDB_website/data/abs/cf2_SOS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : SOS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.15          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.84          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.44          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_SC-NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.55          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_CC3_aug-cc-pVQZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.91          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.49          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_MS-CASPT2_aug-cc-pVDZ_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : MS-CASPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.26         _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.93          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R})                            6.25          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.13          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.63          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.28          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.73          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.84          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           5.36          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.17          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           5.99          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.23          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.64          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.21          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.97          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CC3_aug-cc-pVTZ_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   11.20         5              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienethione_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienethione\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.69          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.76          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.47          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.78          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.26          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_CCSDT_6-31+G(d).dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.08          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CC3(Full)_d-aug-cc-pVQZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.87          _              _            false\n",
 "/QUESTDB_website/data/abs/no_RO-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{NO}\n# Comment  : \n# code     : \n# method   : RO-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Pi        1       2     \\Sigma^+     _                                       6.21          _              _            false\n  1       2     \\Pi        2       2     \\Sigma^+     _                                       7.38          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_CC3_aug-cc-pVTZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.78          _              0.033        false\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.15          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : MRCC\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.37          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.09         _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.56         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            13.13         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.43         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.22         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.73         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.70          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.16          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.94          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.90          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.88          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.85          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s)           7.23          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.53          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.99          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.24          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.01          _              _            true\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.52          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.66          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.26          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.30          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.42          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.42          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.36          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.62          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.22          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Propynal\n# Comment  : \n# code     : MOLPRO\n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.95          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             5.50          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.59          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             4.63          _              _            false\n",
 "/QUESTDB_website/data/abs/co+_RO-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{CO+}\n# Comment  : \n# code     : \n# method   : RO-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Sigma^+   1       2     \\Pi          _                                       3.29          _              _            false\n  1       2     \\Sigma^+   2       2     \\Sigma^+     _                                       5.68          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Pyridine\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.99          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.32          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.28          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.21          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          6.68          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.79          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.34          _              _            false\n  1       1     A_1        4       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.45          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.53          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.48          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.98          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.29          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.24          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.39          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : MRCC\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.52          _              _            false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           8.04          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           9.21          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 4s)           9.84          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.23          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.38          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.45          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.97          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.14          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_CCSD_aug-cc-pVTZ.dat": "# Molecule : Propynal\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.94          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.69          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.53          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.40          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Pyridine\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.30          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.09          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.65          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.57          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R};n \\rightarrow 3s)           6.96          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         6.87          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         7.42          _              _            false\n  1       1     A_1        4       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.55          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.48          _              _            true\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.49          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.82          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.94          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.18          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.65          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.47          _              _            false\n",
 "/QUESTDB_website/data/abs/maleimide_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Maleimide\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.86          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.66          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.39          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.74          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.65          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.67          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.98          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.67          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.44          _              _            false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_CC3_aug-cc-pVDZ.dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.80          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.11          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.45          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.06          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.47          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.83          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_SCS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : SCS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.01          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.14          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.71          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.21          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.17          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.50          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.74          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.69          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.54          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.46          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.51          _              _            true\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.95          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridazine_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.83          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.43          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.31          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.78          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.18          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.48          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.16          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.12          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.76          _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_TBE(Full)_CBS.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : MRCC\n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime    1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.31          91.3           0.000        false\n  1       1     A^\\prime    1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.98          97.9           _            false\n",
 "/QUESTDB_website/data/abs/cclf_CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.56          _              0.007        false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.51          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.35          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.85          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.64          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.81          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : MRCC\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.35          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.95          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.01          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.62          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.26          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.97          _              _            false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.76          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.05          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.55          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.02          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.35          _              _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\mathrm{R};\\pi \\rightarrow 3s)         6.57          _              _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.10          _              _            false\n  1       1     A_{1g}     1       1     E_{2u}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.18          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.32          _              _            false\n  1       1     A_{1g}     1       3     E_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.00          _              _            false\n  1       1     A_{1g}     1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.98          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CC3(Full)_t-aug-cc-pVQZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),t-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V}; n \\rightarrow \\pi^\\star)   9.32          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.87          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 10.27         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R}; n \\rightarrow \\sigma^\\star) 12.28         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            12.90         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R}; n \\rightarrow \\sigma^\\star) 12.96         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.31         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.70          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V}; n \\rightarrow \\pi^\\star)   8.03          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.86          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.67          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.68          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R})                            5.73          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    0.78          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.46          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_CCSDT_6-31+G(d).dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.70          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.44          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.09          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.38          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_CCSDT_aug-cc-pVDZ_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.63          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.87          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.95          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.29          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (n \\rightarrow 3s/3p)                   6.30          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.13          _              _            false\n",
 "/QUESTDB_website/data/abs/ph2_U-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{PH2}\n# Comment  : \n# code     : \n# method   : U-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_1        1       2     A_1          _                                       2.78          _              _            false\n",
 "/QUESTDB_website/data/abs/beryllium_CCSDT_aug-cc-pVQZ_double.dat": "# Molecule : Beryllium\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVQZ\n# geom     : \n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     S          1       1     D            (2s,2s \\rightarrow 2p,2p)               7.11          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.37          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.88          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.44          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.32         _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.86         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            12.83         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.15         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            12.89         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.96         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.19          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.19          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.30          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.29         _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : CFOUR\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    6.49          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow 3p)                    7.00          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.54          _              _            false\n",
 "/QUESTDB_website/data/abs/beryllium_CCSDTQ_6-31+G(d)_double.dat": "# Molecule : Beryllium\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : \n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     S          1       1     D            (2s,2s \\rightarrow 2p,2p)               8.04          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             4.31          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    5.44          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3p)                    5.96          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow  \\pi^\\star)            6.13          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             3.49          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_FCI_aug-cc-pVQZ_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.23          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.86          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_SC-NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   8.07          _              _            false\n  1       1     A_g        3       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 9.05          _              _            false\n",
 "/QUESTDB_website/data/abs/cf2_CC3_6-31+G(d).dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.18          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.71          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_CC3_aug-cc-pVDZ.dat": "# Molecule : Benzene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.11          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             6.50          _              _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\pi \\rightarrow 3s)                    6.46          _              _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\pi \\rightarrow 3p)                    7.02          _              _            false\n  1       1     A_{1g}     1       1     E_{2u}       (\\pi \\rightarrow 3p)                    7.09          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.19          _              _            false\n  1       1     A_{1g}     1       3     E_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.89          _              _            false\n  1       1     A_{1g}     1       3     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.86          _              _            false\n",
 "/QUESTDB_website/data/abs/maleimide_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Maleimide\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.89          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.64          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.94          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.25          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.28          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_CASPT2_aug-cc-pVQZ_double.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi,\\pi)           6.75          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.09          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.42          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_CC2_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.53          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.50          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.91          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.22          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.59          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          5.82          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.37          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.38          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.24          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.16          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               4.48          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               4.88          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             5.41          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow \\pi^\\star)               5.97          _              _            false\n  1       1     A_1        2       1     B_1          (n \\rightarrow \\pi^\\star)               6.29          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3s)                      6.59          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.94          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               4.11          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.52          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               4.67          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             5.00          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_FCI_aug-cc-pVTZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.88          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.49          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_CC3_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.39          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.66          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.90          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.50          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V};double)                     2.55          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R})                            6.42          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    0.59          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.08          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CC3_6-31+G(d).dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.03          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.24          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           8.02          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.30          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           8.70          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 9.37          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.83          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.66          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.09          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.07          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.84          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.17          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3d)           8.54          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_CASPT2_aug-cc-pVQZ_double.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVQZ\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi\\rightarrow \\pi^\\star,\\pi^\\star) 5.58          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_CC2_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.01          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.65          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.84          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.46          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          6.56          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          6.47          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.28          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.73          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.99          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.45          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.02          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_CC3_6-31+G(d)_double.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi\\rightarrow \\pi^\\star,\\pi^\\star) 5.78          65             _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.66          _              _            false\n  1       1     A^\\prime   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.83          _              _            false\n  1       1     A^\\prime   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.20          _              _            false\n  1       1     A^\\prime   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.22          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.88          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R})                            6.27          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.08          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.59          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.89          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.88          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   7.76          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          6.92          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.56          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.14          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.42          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_PC-NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.04         _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_CC3_6-31+G(d).dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.49          _              _            false\n",
 "/QUESTDB_website/data/abs/naphthalene_CC3_aug-cc-pVTZ.dat": "# Molecule : Naphthalene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.30          85.8           0.000        false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.87          90.3           0.067        false\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.63          92.7           _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.83          84.7           _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.94          83.8           _            true\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{R};\\pi \\rightarrow 3p)         6.04          92.8           _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{R};\\pi \\rightarrow 3p)         6.07          92.5           _            false\n  1       1     A_g        2       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.15          90.6           _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{R};\\pi \\rightarrow 3s)         6.32          91.9           _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.39          90.2           _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.46          87.5           _            false\n  1       1     A_g        3       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.87          71.5           _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.17          97.7           _            true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.16          96.6           _            true\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.48          97.8           _            true\n  1       1     A_g        2       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.64          96.8           _            true\n  1       1     A_g        2       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.95          97.5           _            true\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.49          97.3           _            true\n  1       1     A_g        2       3     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.17          95.6           _            true\n  1       1     A_g        2       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.39          95.2           _            true\n",
 "/QUESTDB_website/data/abs/ccl2_CCSDT_aug-cc-pVTZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.60          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.33          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.19          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.26          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Acetone\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.37          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.87          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          6.81          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          6.85          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          6.99          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.00          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.37          _              _            false\n",
 "/QUESTDB_website/data/abs/naphthalene_TBE_aug-cc-pVTZ.dat": "# Molecule : Naphthalene\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.27          85.8           0.000        false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.90          90.3           0.067        false\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.65          92.7           _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.84          84.7           _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.89          83.8           _            true\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{R};\\pi \\rightarrow 3p)         6.07          92.8           _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{R};\\pi \\rightarrow 3p)         6.09          92.5           _            false\n  1       1     A_g        2       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.19          90.6           _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{R};\\pi \\rightarrow 3s)         6.33          91.9           _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.42          90.2           _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.48          87.5           _            false\n  1       1     A_g        3       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.87          71.5           _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.17          97.7           _            true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.16          96.6           _            true\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.48          97.8           _            true\n  1       1     A_g        2       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.64          96.8           _            true\n  1       1     A_g        2       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.95          97.5           _            true\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.49          97.3           _            true\n  1       1     A_g        2       3     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.17          95.6           _            true\n  1       1     A_g        2       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.39          95.2           _            true\n",
 "/QUESTDB_website/data/abs/imidazole_exp.dat": "# Molecule : Imidazole\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\pi \\rightarrow 3s)                    5.2           _              _            true\n  1       1     A^\\prime   2       1     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             6.4           _              _            true\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : MRCC\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.16          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.33          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.01          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c5_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C5\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.32          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_CC2_aug-cc-pVTZ.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.21          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.46          _              _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.70          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R};\\pi \\rightarrow 3p)         5.84          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.84          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.46          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.54          _              _            false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           8.05          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           9.18          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           9.83          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.34          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_CCSDTQ_6-31+G(d).dat": "# Molecule : Acetone\n# Comment  : \n# code     : CFOUR\n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               4.53          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.68          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 3p)                      7.87          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      7.84          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3p)                      7.91          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 4.01          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.51          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_CC3_6-31+G(d)_double.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   9.27          7              _            false\n  1       1     A_g        3       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.88          73             _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_CC3_aug-cc-pVQZ.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             4.31          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    5.47          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3p)                    5.98          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.09          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             3.50          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.75          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CC2_aug-cc-pVTZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : MRCC\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.64          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.30         _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.60         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            11.11         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.63         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.83         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.42          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.72          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.56          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.27         _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.60         _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienethione_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienethione\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.85          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.11          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.02          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.62          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.22          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.60          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c5_CC2_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C5\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.77          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.60          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_CC2_aug-cc-pVTZ.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.63          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 4s)          5.50          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.09          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 4p)          6.44          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 4p)          6.53          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.33          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.59          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_CC3_aug-cc-pVDZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.63          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_SC-NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi,\\pi)           6.78          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_CC3_aug-cc-pVQZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   _                                       6.38          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     _                                       6.64          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   _                                       4.91          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.83          _              _            false\n",
 "/QUESTDB_website/data/abs/aza-naphthalene_CCSD_aug-cc-pVTZ.dat": "# Molecule : Aza-naphthalene\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.41          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.45          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.55          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.85          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.33          _              _            false\n  1       1     A_g        2       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.89          _              _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.68          _              _            false\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.88          _              _            true\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.08          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.37          _              _            false\n  1       1     A_g        3       1     A_g          (\\mathrm{R};n \\rightarrow 3s)           6.71          _              _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.04          _              _            true\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.70          _              _            true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.59          _              _            true\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.89          _              _            true\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.55          _              _            true\n  1       1     A_g        2       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.98          _              _            true\n  1       1     A_g        2       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.83          _              _            true\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.01          _              _            true\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CC3_aug-cc-pVQZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 4p)                      6.16          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow 4s)                      6.29          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 4p)                      5.80          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 4s)                      5.93          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_CCSDT_aug-cc-pVTZ_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.90          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     6.57          _              _            false\n",
 "/QUESTDB_website/data/abs/imidazole_CC2_aug-cc-pVTZ.dat": "# Molecule : Imidazole\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.69          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.51          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.47          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R}; \\pi \\rightarrow 3p)        6.41          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.94          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.66          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.94          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.36          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_CC3_aug-cc-pV5Z.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.00          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.64          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.55          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 4s)          5.59          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.01          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 4p)          6.54          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 4p)          6.52          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.30          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.60          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CCSDTQ_6-31+G(d)_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.39         _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.22          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.92          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.97          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.23          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.38          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.80          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.48          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.19          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.43          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.87          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_CC3(Full)_aug-cc-pCVQZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pCVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.15          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.78          _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_TBE(Full)_CBS.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.63          87.6           0.070        false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.96          91.5           0.079        false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.16          92.6           _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.11          90.1           0.010        false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.18          91.8           _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.52          92.8           0.000        false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.18          92.4           0.082        false\n  1       1     A_1        3       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.29          86.5           0.314        true\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.91          98.2           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.76          97.7           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.90          96.6           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.98          97.5           _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.12          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.48          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.87          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_PC-NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi,\\pi)           6.70          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.80          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.56          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.42          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.89          _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_CCSD_aug-cc-pVTZ.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.78          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.12          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.22          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.31          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.32          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.56          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.38          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.57          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.85          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.77          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.12          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.16          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     _                                       5.81          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       _                                       6.09          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     _                                       4.44          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       _                                       5.21          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.55          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_CCSD_aug-cc-pVTZ.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.35          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.40          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.12          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.71          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.87          _              _            false\n  1       1     A_g        2       1     B_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.76          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.29          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.17          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.33          _              _            false\n",
 "/QUESTDB_website/data/abs/ch_RO-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{CH}\n# Comment  : \n# code     : \n# method   : RO-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Pi        1       2     \\Delta       _                                       3.10          _              _            false\n  1       2     \\Pi        1       2     \\Sigma^-     _                                       3.55          _              _            false\n  1       2     \\Pi        1       2     \\Sigma^+     _                                       4.40          _              _            false\n",
 "/QUESTDB_website/data/abs/bh2_RO-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{BH2}\n# Comment  : \n# code     : \n# method   : RO-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A_1         1       2     B_1          _                                       1.20          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_CASPT2_6-31+G(d)_double.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : CASPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 7.93          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_TBE_aug-cc-pVTZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : MRCC\n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.34          92.6           _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.88          97.2           _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.29         95.9           0.000        false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R}; n \\rightarrow \\sigma^\\star) 12.98         92.2           _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.03         82.9           0.458        false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R}; n \\rightarrow \\sigma^\\star) 13.09         92.8           0.296        false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.46         87.4           0.000        false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.70          99.3           _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.01          98.4           _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.87          99.3           _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.66          98.8           _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : MRCC\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.37          _              _            false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           7.86          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           9.04          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 4s)           9.59          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.18          _              _            false\n",
 "/QUESTDB_website/data/abs/furan_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Furan\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.04          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.31          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.62          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.56          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.75          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.19          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.16          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.41          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.98          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.53          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             7.21          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             7.52          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\pi \\rightarrow \\pi^\\star)             5.49          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             6.46          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             7.14          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_CC3_aug-cc-pV5Z.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   _                                       5.33          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     _                                       5.60          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   _                                       4.11          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     _                                       4.80          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.97          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.69          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_CC3_aug-cc-pVTZ.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.31          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.44          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.95          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.13          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.50          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.74          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_CC3_aug-cc-pV5Z.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               4.23          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               5.58          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.38          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.56          _              _            false\n  1       1     A_1        3       1     B_2          (n \\rightarrow 3p)                      6.99          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      7.06          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             8.26          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               3.94          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.92          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               5.39          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.85          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.48          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_CC3_d-aug-cc-pVQZ.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : CFOUR\n# method   : CC3,d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               3.44          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               3.45          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             4.66          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3s)                      5.38          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.49          _              _            false\n  1       1     A_1        3       1     B_2          (n \\rightarrow 3p)                      5.91          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.31          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               3.34          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.04          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.04          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.44          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.21          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.04          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.09          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.84          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{R}; n \\rightarrow 3s)          6.71          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.85          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.90          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        7.22          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{R}; n \\rightarrow 3p)          7.31          _              _            false\n  1       1     A_g        2       1     B_{1u}       (\\mathrm{R}; n \\rightarrow 3p)          7.50          _              _            false\n  1       1     A_g        3       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.98          _              _            false\n",
 "/QUESTDB_website/data/abs/triazine_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Triazine\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.04          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.17          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.15          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.20          _              _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.50          _              _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (\\mathrm{R};n \\rightarrow 3s)           7.59          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.70          _              _            false\n  1       1     A_1^\\prime 1       3     E^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.84          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.04          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^\\prime   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.19          _              _            false\n  1       1     A_1^\\prime 1       3     E^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.98          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^\\prime   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.75          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : CFOUR\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    5.28          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.02          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.05          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.23          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.31          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    6.75          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.52          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    5.26          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.46          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3p)                    5.97          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_CC3_6-31+G(d).dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.28          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.53          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_CC3_aug-cc-pVDZ.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\sigma \\rightarrow \\pi^\\star)          6.72          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.77          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.34          _              _            false\n  1       1     A_1        1       3     B_1          (\\sigma \\rightarrow \\pi^\\star)          6.43          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.30          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.55          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.45          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.70          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.34          _              _            false\n",
 "/QUESTDB_website/data/abs/aza-naphthalene_CC2_aug-cc-pVTZ.dat": "# Molecule : Aza-naphthalene\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.00          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.38          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.35          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.44          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.84          _              _            false\n  1       1     A_g        2       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.03          _              _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.49          _              _            false\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.66          _              _            true\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.92          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.83          _              _            false\n  1       1     A_g        3       1     A_g          (\\mathrm{R};n \\rightarrow 3s)           5.96          _              _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.73          _              _            true\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.83          _              _            true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.98          _              _            true\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.79          _              _            true\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.33          _              _            true\n  1       1     A_g        2       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.48          _              _            true\n  1       1     A_g        2       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.00          _              _            true\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.94          _              _            true\n",
 "/QUESTDB_website/data/abs/hsif_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.22          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_FCI_aug-cc-pVTZ_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.35         _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.94          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.98          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.49          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.71          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_FCI_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.86          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow 3s)                      6.01          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    7.18          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.77          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.61          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3s)                      5.79          _              _            false\n  1       1     A_1        2       3     A_2          (\\pi \\rightarrow 3p)                    7.12          _              _            false\n",
 "/QUESTDB_website/data/abs/bh2_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{BH2}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A_1         1       2     B_1          _                                       1.18          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_TBE_aug-cc-pVTZ.dat": "# Molecule : Pyridine\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.95          88.4           0.004        false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.14          86.5           0.028        false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.40          87.9           _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.62          92.1           0.010        false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          6.76          89.7           0.011        false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.82          93.2           _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.40          90.0           0.319        true\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.38          93.6           0.045        false\n  1       1     A_1        4       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.39          90.5           0.291        false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.30          98.5           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.46          97.0           _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.79          97.3           _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.04          97.1           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.36          95.8           _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.24          97.7           _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_FCI_aug-cc-pVTZ.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime    1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.31          _              _            false\n  1       1     A^\\prime    1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.0           _              _            false\n",
 "/QUESTDB_website/data/abs/hco_RO-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCO}\n# Comment  : \n# code     : \n# method   : RO-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A^\\prime   1       2     A^{\\prime\\prime} _                                       2.11          _              _            false\n  1       2     A^\\prime   2       2     A^\\prime     _                                       5.44          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.15          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.33          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.53          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.66          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_CCSDT_6-31+G(d).dat": "# Molecule : Propynal\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.87          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             5.73          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.54          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             4.47          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_CC3_aug-cc-pVQZ_double.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi,\\pi)           6.67          75             _            false\n",
 "/QUESTDB_website/data/abs/pyridazine_exp.dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.0           _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.0           _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.4           _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Propynal\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.78          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.77          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.48          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.51          _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_CC3_aug-cc-pVTZ.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.45          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.00          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.53          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_CCSDTQ_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.22          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.91          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.38          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.93          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.39          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.73          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_CCSDT_6-31+G(d).dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (n \\rightarrow \\pi^\\star)               2.54          _              _            false\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               3.75          _              _            false\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star, \\pi^\\star)  5.86          _              _            true\n  1       1     A_g        1       1     B_{1g}       (n \\rightarrow \\pi^\\star)               5.02          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.26          _              _            false\n  1       1     A_g        1       1     B_{2g}       (n \\rightarrow \\pi^\\star)               5.52          _              _            false\n  1       1     A_g        2       1     A_u          (n \\rightarrow \\pi^\\star)               5.61          _              _            false\n  1       1     A_g        2       1     B_{2g}       (n \\rightarrow \\pi^\\star)               6.22          _              _            false\n  1       1     A_g        2       1     B_{1g}       (n \\rightarrow \\pi^\\star)               7.04          _              _            false\n  1       1     A_g        1       3     B_{3u}       (n \\rightarrow \\pi^\\star)               1.88          _              _            false\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               3.49          _              _            false\n  1       1     A_g        1       3     B_{1g}       (n \\rightarrow \\pi^\\star)               4.25          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.49          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             4.64          _              _            false\n  1       1     A_g        1       3     B_{2g}       (n \\rightarrow \\pi^\\star)               5.11          _              _            false\n  1       1     A_g        2       3     A_u          (n \\rightarrow \\pi^\\star)               5.17          _              _            false\n  1       1     A_g        2       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             5.50          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.86          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.44          _              _            false\n",
 "/QUESTDB_website/data/abs/beryllium_CCSDTQ_aug-cc-pVQZ_double.dat": "# Molecule : Beryllium\n# Comment  : \n# code     : \n# method   : CCSDTQ,aug-cc-pVQZ\n# geom     : \n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     S          1       1     D            (2s,2s \\rightarrow 2p,2p)               7.11          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CCSDT_6-31+G(d)_double.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   6.24          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.18          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.26          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.78          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.30          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.51          _              _            false\n",
 "/QUESTDB_website/data/abs/imidazole_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Imidazole\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.75          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.50          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.51          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.92          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.72          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.93          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.31          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_FCI_aug-cc-pVDZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.14          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.79          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_TBE_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.41          89.6           _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.45          84.8           0.000        false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.60          83.0           0.007        false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.34          91.8           0.048        false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.46          89.0           0.228        false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          5.92          91.3           0.084        false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.28          97.2           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.32          94.5           _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.01          96.5           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.01          98.2           _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CCSDT_6-31+G(d).dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               2.94          _              _            false\n  1       1     A_g        1       1     B_g          (n \\rightarrow \\pi^\\star)               4.32          _              _            false\n  1       1     A_g        2       1     A_g          (n,n  \\rightarrow \\pi^\\star,\\pi^\\star)  6.24          _              _            true\n  1       1     A_g        2       1     B_g          (n \\rightarrow \\pi^\\star)               6.83          _              _            false\n  1       1     A_g        1       1     B_u          (n \\rightarrow 3p)                      7.74          _              _            false\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               2.55          _              _            false\n  1       1     A_g        1       3     B_g          (n \\rightarrow \\pi^\\star)               3.95          _              _            false\n  1       1     A_g        1       3     B_u          (\\pi \\rightarrow \\pi^\\star)             5.20          _              _            false\n  1       1     A_g        1       3     A_g          (\\pi \\rightarrow \\pi^\\star)             6.35          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.40          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.84          _              _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         6.03          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R};\\pi \\rightarrow 3p)         6.20          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.98          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.43          _              _            false\n",
 "/QUESTDB_website/data/abs/cn_RO-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{CN}\n# Comment  : \n# code     : \n# method   : RO-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Sigma^+   1       2     \\Pi          _                                       1.36          _              _            false\n  1       2     \\Sigma^+   2       2     \\Sigma^+     _                                       3.26          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.22          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.47          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.08          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.72          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CC3(Full)_aug-cc-pV5Z.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               3.96          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      7.25          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3p)                      8.10          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      8.23          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 3p)                      8.54          _              _            false\n  1       1     A_1        1       1     B_1          (\\sigma \\rightarrow \\pi^\\star)          9.18          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             9.43          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.57          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.06          _              _            false\n  1       1     A_1        1       3     B_2          (n \\rightarrow 3s)                      7.11          _              _            false\n  1       1     A_1        2       3     B_2          (n \\rightarrow 3p)                      7.95          _              _            false\n  1       1     A_1        2       3     A_1          (n \\rightarrow 3p)                      8.13          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3d)                      8.41          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CASPT2_aug-cc-pVDZ_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.23         _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_FCI_aug-cc-pVDZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.30          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.08          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CIS(D\u221e)_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : CIS(D\u221e),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.88          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s/3p)        5.86          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.03          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.75          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CC3_6-31+G(d)_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   11.49         5              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CIS(D\u221e)_aug-cc-pVTZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : MRCC\n# method   : CIS(D\u221e),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.48          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.26         _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.79         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            12.99         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.33         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.07         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.99         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.15          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.20          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.25          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.23         _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_SC-NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.40         _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CCSDT_aug-cc-pVQZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (n \\rightarrow \\pi^\\star)               8.48          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\pi \\rightarrow \\pi^\\star)             9.94          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\pi \\rightarrow \\pi^\\star)             10.07         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.95         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.51         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.69         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (n \\rightarrow \\pi^\\star)               6.30          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\pi \\rightarrow \\pi^\\star)             8.45          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\pi \\rightarrow \\pi^\\star)             9.26          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.49         _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_FCI_6-31+G(d)_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.51          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Pyridine\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.94          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.03          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.45          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.98          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.94          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.49          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.93          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.41          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.78          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.03          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.39          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.25          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_CCSDT_6-31+G(d).dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (n \\rightarrow \\pi^\\star)               4.28          _              _            false\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               5.08          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.08          _              _            false\n  1       1     A_g        1       1     B_{2g}       (n \\rightarrow \\pi^\\star)               5.85          _              _            false\n  1       1     A_g        2       1     A_g          (n \\rightarrow 3s)                      6.73          _              _            false\n  1       1     A_g        1       1     B_{1g}       (n \\rightarrow \\pi^\\star)               6.87          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             7.11          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\pi \\rightarrow 3s)                    7.37          _              _            false\n  1       1     A_g        2       1     B_{2u}       (n \\rightarrow 3p)                      7.39          _              _            false\n  1       1     A_g        2       1     B_{1u}       (n \\rightarrow 3p)                      7.55          _              _            false\n  1       1     A_g        3       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             8.23          _              _            false\n  1       1     A_g        1       3     B_{3u}       (n \\rightarrow \\pi^\\star)               3.68          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.36          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             4.55          _              _            false\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               5.05          _              _            false\n  1       1     A_g        1       3     B_{2g}       (n \\rightarrow \\pi^\\star)               5.17          _              _            false\n  1       1     A_g        2       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             5.37          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.07          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.41          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.73          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.43          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V}; n \\rightarrow \\pi^\\star)   9.32          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.87          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 10.27         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R}; n \\rightarrow \\sigma^\\star) 12.91         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.16         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R}; n \\rightarrow \\sigma^\\star) 13.10         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.40         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.70          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V}; n \\rightarrow \\pi^\\star)   8.03          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.86          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.67          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienone_CC2_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienone\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.86          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.58          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.50          _              _            true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.34          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.52          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.31          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_CC3_aug-cc-pVQZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.07          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : MRCC\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.84          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_XMS-CASPT2_aug-cc-pVDZ_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : XMS-CASPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.25         _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CC3_aug-cc-pVDZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3s)                      6.46          _              _            false\n  1       1     A_1        1       1     E            (n \\rightarrow 3p)                      8.06          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      9.66          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 4s)                      10.40         _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3s)                      6.18          _              _            false\n",
 "/QUESTDB_website/data/abs/triazine_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Triazine\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.77          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.82          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.84          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.85          _              _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.28          _              _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          7.37          _              _            false\n  1       1     A_1^\\prime 2       1     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   7.96          _              _            false\n  1       1     A_1^\\prime 2       1     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.95          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_CCSDT_6-31+G(d)_double.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.86          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : CFOUR\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.87          _              _            false\n  1       1     A_1        3       1     A_1          (n \\rightarrow 4p)                      6.64          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             3.46          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_SC-NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.09          _              _            false\n",
 "/QUESTDB_website/data/abs/triazine_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Triazine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.58          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.69          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.66          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.83          _              _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.18          _              _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          6.89          _              _            false\n  1       1     A_1^\\prime 2       1     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.65          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.29          _              _            false\n  1       1     A_1^\\prime 1       3     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.42          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.59          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.10          _              _            false\n  1       1     A_1^\\prime 1       3     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.82          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.63          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.55          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 4s)          5.57          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.90          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 4p)          6.52          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 4p)          6.62          _              _            false\n",
 "/QUESTDB_website/data/abs/triazine_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Triazine\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.82          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.01          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.96          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.72          _              _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.32          _              _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (\\mathrm{R};n \\rightarrow 3s)           7.28          _              _            false\n  1       1     A_1^\\prime 2       1     E^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.08          _              _            false\n  1       1     A_1^\\prime 2       1     E^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.99          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.61          _              _            false\n  1       1     A_1^\\prime 1       3     E^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.72          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.87          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^\\prime   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.13          _              _            false\n  1       1     A_1^\\prime 1       3     E^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.84          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^\\prime   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.86          _              _            false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_CC3_6-31+G(d).dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.83          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.13          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.51          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.09          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.48          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.86          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_CASPT2_aug-cc-pVTZ_double.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   7.81          _              _            false\n  1       1     A_g        3       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.77          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_CC3_aug-cc-pVQZ.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               2.06          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.82          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.53          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.50          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.91          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.22          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.59          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          5.82          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.37          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.38          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.24          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.16          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_SOS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : SOS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.07          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.29          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.38          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.52          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_TBE(Full)_CBS.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.46          89.8           0.006        false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.70          87.9           _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V}; n,n \\rightarrow \\pi^\\star, \\pi^\\star) 4.59          0.7            _            true\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.92          83.1           _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.20          85.4           0.055        false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.45          81.7           _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.53          87.7           _            false\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V}; n,n \\rightarrow \\pi^\\star, \\pi^\\star) 6.13          0.7            _            true\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.12          80.2           _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.91          85.1           _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.86          97.1           _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.46          96.3           _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.21          97.0           _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.49          98.5           _            true\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.52          97.5           _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.04          96.4           _            false\n  1       1     A_g        2       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.11          96.6           _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V}; n,n \\rightarrow \\pi^\\star, \\pi^\\star) 5.50          5.7            _            true\n  1       1     A_g        2       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.43          96.6           _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.23          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.68          _              _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.93          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R};\\pi \\rightarrow 3p)         6.10          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.86          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.32          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_CCSD_aug-cc-pVTZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : MRCC\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.28          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.63          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : MOLPRO\n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               2.90          _              _            false\n  1       1     A_g        1       1     B_g          (n \\rightarrow \\pi^\\star)               4.30          _              _            false\n  1       1     A_g        2       1     A_g          (n,n  \\rightarrow \\pi^\\star,\\pi^\\star)  5.52          _              _            true\n  1       1     A_g        2       1     B_g          (n \\rightarrow \\pi^\\star)               6.64          _              _            false\n  1       1     A_g        1       1     B_u          (n \\rightarrow 3p)                      7.84          _              _            false\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               2.49          _              _            false\n  1       1     A_g        1       3     B_g          (n \\rightarrow \\pi^\\star)               3.99          _              _            false\n  1       1     A_g        1       3     B_u          (\\pi \\rightarrow \\pi^\\star)             5.17          _              _            false\n  1       1     A_g        1       3     A_g          (\\pi \\rightarrow \\pi^\\star)             6.33          _              _            false\n",
 "/QUESTDB_website/data/abs/beh_RO-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{BeH}\n# Comment  : \n# code     : \n# method   : RO-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Sigma^+     1       2     \\Pi          _                                       2.51          _              _            false\n  1       2     \\Sigma^+     2       2     \\Pi          _                                       6.47          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             5.60          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    5.70          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.34          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.39          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    6.55          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.53          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             3.31          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.13          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    5.65          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3p)                    6.30          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_MS-CASPT2_aug-cc-pVDZ_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : MS-CASPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     2       1     A_{1g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 11.00         _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.46          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.38          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.87          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.09          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.61          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.80          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CC3_6-31+G(d).dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.84          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_PC-NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.26          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.54          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_CCSD_aug-cc-pVTZ.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.63          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 4s)          5.67          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.01          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 4p)          6.59          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 4p)          6.71          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.35          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.37          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_CC3_6-31+G(d).dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.86          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.98          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.37          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.61          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_CASPT2_aug-cc-pVQZ_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.08          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.82          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.98          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s/3p)        5.84          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.12          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.74          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_exp.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    5.22          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.21          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    5.1           _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_CC3_d-aug-cc-pVQZ.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   _                                       5.33          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     _                                       5.60          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   _                                       4.10          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     _                                       4.80          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.57          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.15          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.09          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.25          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.01          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.73          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3p)           5.94          _              _            false\n  1       1     A_1        2       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.22          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.68          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.73          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.34          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.40          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.49          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.99          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.12         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.94         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.49         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.69         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.30          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.45          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.30          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.82          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.45         _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_PC-NEVPT2_6-31+G(d)_double.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.75          _              _            false\n  1       1     A_g        1       1     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 6.25          _              _            false\n  1       1     A_g        1       3     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 5.63          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_CCSDTQ_aug-cc-pVTZ_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : CCSDTQ,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.13          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.45          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c3_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C3\n# Comment  : \n# code     : \n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.71          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.51          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.42          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.59          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.72          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.29          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.36          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          5.89          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.26          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.46          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.04          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.94          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.02          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.79          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : CFOUR\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               4.22          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               5.57          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.38          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.56          _              _            false\n  1       1     A_1        3       1     B_2          (n \\rightarrow 3p)                      7.00          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      7.06          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             8.28          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               3.92          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.90          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               5.37          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.83          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_FCI_aug-cc-pVDZ_double.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.48          _              _            false\n",
 "/QUESTDB_website/data/abs/furan_exp.dat": "# Molecule : Furan\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    5.91          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.04          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.47          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.61          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    6.75          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.57          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.88          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.11          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           5.43          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.58          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           6.04          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.45          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.77          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.37          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.18          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_FCI_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.47          _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.77          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.24          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.18          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.44          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.42          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.49          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.37          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.68          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.22          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.02          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.28          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.17          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_FCI_6-31+G(d).dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\pi \\rightarrow \\pi^\\star)             6.41          _              _            false\n  1       1     A_g        2       1     A_g          (\\pi \\rightarrow \\pi^\\star)             6.55          _              _            false\n  1       1     A_g        2       1     A_u          (\\pi \\rightarrow 3p)                    6.95          _              _            false\n  1       1     A_g        1       3     B_u          (\\pi \\rightarrow \\pi^\\star)             3.37          _              _            false\n  1       1     A_g        1       3     B_g          (\\pi \\rightarrow 3s)                    6.40          _              _            false\n",
 "/QUESTDB_website/data/abs/imidazole_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Imidazole\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{R};\\pi \\rightarrow 3s)         5.83          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.53          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.58          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.92          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{R};\\pi \\rightarrow 3s)         5.81          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.88          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.50          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Benzene\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.27          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.45          _              _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        6.52          _              _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.06          _              _            false\n  1       1     A_{1g}     1       1     E_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.12          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.37          _              _            false\n  1       1     A_{1g}     1       3     E_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.07          _              _            false\n  1       1     A_{1g}     1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.87          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CC3(Full)_d-aug-cc-pVQZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 4p)                      6.14          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow 4s)                      6.27          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 4p)                      5.79          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 4s)                      5.92          _              _            false\n",
 "/QUESTDB_website/data/abs/water_CIS(D\u221e)_aug-cc-pVTZ.dat": "# Molecule : Water\n# Comment  : \n# code     : \n# method   : CIS(D\u221e),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.18          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          8.84          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.52          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; n \\rightarrow 3s)          6.86          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; n \\rightarrow 3p)          8.72          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.15          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CC3_t-aug-cc-pVQZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : Dalton\n# method   : CC3,t-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   8.47          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.99          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 10.11         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.72         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.33         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.46         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.30          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.48          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.31          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.82          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.33         _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.80          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.08          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.45          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.22          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_PC-NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.79          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.59          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.20          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.09          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.24          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_CCSD_aug-cc-pVTZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.02          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.60          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_CC3_aug-cc-pVDZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.06          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.33          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.47          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.35          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_CC3(SC)_aug-cc-pVQZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : CC3(SC),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.59          _              _            false\n",
 "/QUESTDB_website/data/abs/beryllium_CASPT2_aug-cc-pVDZ_double.dat": "# Molecule : Beryllium\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVDZ\n# geom     : \n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     S          1       1     D            (2s,2s \\rightarrow 2p,2p)               7.21          _              _            false\n",
 "/QUESTDB_website/data/abs/diazirine_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Diazirine\n# Comment  : \n# code     : \n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.21          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 7.47          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           7.33          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.87          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.55          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.32          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.27          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           6.77          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CC3_aug-cc-pVQZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3s)                      6.61          _              _            false\n  1       1     A_1        1       1     E            (n \\rightarrow 3p)                      8.18          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      9.11          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 4s)                      9.77          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3s)                      6.33          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.02          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.05          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.94          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.98          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.77          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.07          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.71          _              _            false\n",
 "/QUESTDB_website/data/abs/octatetraene_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Octatetraene\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.74          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.50          _              _            true\n",
 "/QUESTDB_website/data/abs/cf2_CC3_aug-cc-pV5Z.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.05          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.77          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.05          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.44          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CASPT2_6-31+G(d)_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CASPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.80         _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CCSDT_aug-cc-pVQZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 4p)                      6.15          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow 4s)                      6.29          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 4p)                      5.79          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 4s)                      5.93          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_CC3_6-31+G(d).dat": "# Molecule : Acrolein\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.83          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             6.83          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               6.94          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (n \\rightarrow 3s)                      7.22          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.55          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             3.94          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             6.25          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               6.81          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.01          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.18          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.44          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.54          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CCSDT_aug-cc-pVQZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.88          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.10          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.39          _              _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\mathrm{R};\\pi \\rightarrow 3s)         6.54          _              _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.07          _              _            false\n  1       1     A_{1g}     1       1     E_{2u}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.14          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.34          _              _            false\n  1       1     A_{1g}     1       3     E_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.03          _              _            false\n  1       1     A_{1g}     1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.94          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridazine_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.01          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.54          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.27          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.03          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.14          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.59          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.73          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.41          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.30          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.55          _              _            true\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.00          _              _            false\n",
 "/QUESTDB_website/data/abs/h2ps_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{H2PS}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A^\\prime     1       2     A^{\\prime\\prime} _                                       1.16          _              _            false\n  1       2     A^\\prime     2       2     A^\\prime     _                                       2.72          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.85          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.98          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          7.25          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.48          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.72          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.00          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.40          _              _            false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           7.87          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           9.05          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 4s)           9.67          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.16          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CCSDT_aug-cc-pVDZ_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.20         _              _            false\n",
 "/QUESTDB_website/data/abs/water_TBE_aug-cc-pVTZ.dat": "# Molecule : Water\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.62          93.4           0.054        false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          9.41          93.6           _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.99          93.6           0.100        false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.25          98.1           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; n \\rightarrow 3p)          9.24          98.0           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.54          98.2           _            false\n",
 "/QUESTDB_website/data/abs/hsif_SCS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : SCS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.21          _              _            false\n",
 "/QUESTDB_website/data/abs/cf2_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 4.86          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.48          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_FCI_6-31+G(d)_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.38         _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_CCSDTQ_6-31+G(d)_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.32          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.52          _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.27          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.86          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienethione_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienethione\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.96          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.09          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.16          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.71          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.22          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.63          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CCSDTQP_aug-cc-pVDZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQP,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 4p)                      6.29          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow 4s)                      6.10          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 4p)                      5.90          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 4s)                      5.75          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.25          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.63          _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.90          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.27          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         6.45          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.54          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.37          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         6.68          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.62          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.48          _              _            true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.11          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.88          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.36          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         6.10          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [QM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.88          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-C1_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.20          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.60          _              _            false\n",
 "/QUESTDB_website/data/abs/vinyl_U-CC3_aug-cc-pVTZ.dat": "# Molecule : Vinyl\n# Comment  : \n# code     : \n# method   : U-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A^{\\prime\\prime}   2       2     A^{\\prime\\prime} _                                       3.34          _              _            false\n  1       2     A^{\\prime\\prime}   3       2     A^{\\prime\\prime} _                                       4.76          _              _            false\n  1       2     A^{\\prime\\prime}   1       2     A^\\prime     _                                       6.22          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Acetone\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.55          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.91          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          6.84          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          6.89          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          7.02          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.16          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.50          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CCSDTQ_6-31+G(d).dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.72          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.14          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.29          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.53          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.51          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.22          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CC3(Full)_d-aug-cc-pV5Z.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   8.45          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.98          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 10.11         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.74         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.35         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.48         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.29          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.48          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.30          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.81          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.35         _              _            false\n",
 "/QUESTDB_website/data/abs/triazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Triazine\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.86          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.03          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.12          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.62          _              _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.21          _              _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (\\mathrm{R};n \\rightarrow 3s)           7.51          _              _            false\n  1       1     A_1^\\prime 2       1     E^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.17          _              _            false\n  1       1     A_1^\\prime 2       1     E^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.98          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.76          _              _            false\n  1       1     A_1^\\prime 1       3     E^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.83          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.93          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^\\prime   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.17          _              _            false\n  1       1     A_1^\\prime 1       3     E^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.80          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^\\prime   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.80          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.49          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.94          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.08         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.99         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.54         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.74         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.30          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.42          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.26          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.50         _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_CC3_aug-cc-pVDZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.10          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    5.32          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.80          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow \\pi^\\star)             2.84          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.05          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3s)                    5.17          _              _            false\n  1       1     A_1        2       3     A_1          (\\pi \\rightarrow 3p)                    6.83          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         5.54          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.23          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.29          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.56          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.70          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.10          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.70          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         5.51          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.64          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.16          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_CIS(D\u221e)_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CIS(D\u221e),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.24          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.80          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.57          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.86          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.45          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.62          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacrolein_CCSD_aug-cc-pVTZ.dat": "# Molecule : Thioacrolein\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.26          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.98          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.30          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R};\\pi \\rightarrow 3s)         6.54          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.37          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3p)         6.88          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3p)         7.02          _              _            false\n  1       1     A_g        2       1     B_u          (\\mathrm{R};\\pi \\rightarrow 3p)         7.84          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.54          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.22          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{R};\\pi \\rightarrow 3s)         6.51          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : MRCC\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.22          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_CCSD_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.19          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.57          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.94          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.19          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.95          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.42          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.85          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_FCI_aug-cc-pVTZ.dat": "# Molecule : Formamide\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.7           _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             7.63          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.4           _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.7           _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.24          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.07          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.71          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.89          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{R};n \\rightarrow 3s)           6.82          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.84          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.60          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.22          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{R};n \\rightarrow 3p)           7.40          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.75          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.41          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.35          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.08          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.24          _              _            false\n  1       1     A_g        2       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.25          _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.31          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.92          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.15          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.04          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.17          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.77          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{R}; n \\rightarrow 3s)          6.63          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.83          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.77          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        7.22          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.57          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.31          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.34          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.00          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_TBE(Full)_CBS.dat": "# Molecule : Formamide\n# Comment  : \n# code     : MRCC\n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.63          90.8           0.000        false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s)           6.81          88.6           0.001        true\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.64          89.3           0.251        true\n  1       1     A^\\prime   4       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3p)           7.41          89.6           0.111        true\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.37          97.7           _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.81          98.2           _            false\n",
 "/QUESTDB_website/data/abs/ethylene_XMS-CASPT2_aug-cc-pVTZ_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : XMS-CASPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.20         _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_CCSD_aug-cc-pVTZ.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.34          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.04          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.09          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.35          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.51          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.93          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.45          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.30          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.49          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.97          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_CCSDT_6-31+G(d).dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    5.25          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    5.98          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.27          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.33          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.40          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    7.20          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.58          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    5.22          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.54          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3p)                    5.90          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.48          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_CC3(Full)_aug-cc-pV5Z.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             7.09          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             7.42          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\pi \\rightarrow \\pi^\\star)             5.53          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             6.40          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             7.08          _              _            false\n",
 "/QUESTDB_website/data/abs/cn_RO-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{CN}\n# Comment  : \n# code     : \n# method   : RO-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Sigma^+   1       2     \\Pi          _                                       1.34          _              _            false\n  1       2     \\Sigma^+   2       2     \\Sigma^+     _                                       3.35          _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.31          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.02          _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.75          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.07          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.07          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.15          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.35          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.48          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.26          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.12          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.91          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.00          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.03          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_FCI_6-31+G(d)_double.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.60          _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.72          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.07          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.15          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.24          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.35          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.51          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.34          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.11          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.86          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.09          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.11          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_FCI_6-31+G(d)_double.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi,\\pi)           6.55          _              _            false\n",
 "/QUESTDB_website/data/abs/cf2_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.02          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.75          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CC3_aug-cc-pVTZ_double.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   6.76          1              _            false\n",
 "/QUESTDB_website/data/abs/hcf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.38          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.80          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CCSDT_6-31+G(d).dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 4p)           6.46          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 4s)           6.05          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 4p)           6.00          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 4s)           5.66          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.75          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.86          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.45          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.45          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_TBE_CBS_double.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : TBE,CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          double                                  6.50          75             _            false\n",
 "/QUESTDB_website/data/abs/hps_CCSDTQ_6-31+G(d).dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.56          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.57          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.34          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.19          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.28          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.84          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.11          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_SC-NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.19          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.97          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CC3_d-aug-cc-pVQZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : Dalton\n# method   : CC3,d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   8.47          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.99          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 10.12         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.72         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.33         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.46         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.30          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.48          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.31          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.81          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.33         _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.56          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CC3(Full)_d-aug-cc-pV5Z.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V}; n \\rightarrow \\pi^\\star)   9.32          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.86          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 10.27         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R}; n \\rightarrow \\sigma^\\star) 12.31         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            12.92         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R}; n \\rightarrow \\sigma^\\star) 12.98         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.30         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.71          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V}; n \\rightarrow \\pi^\\star)   8.04          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.87          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.67          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.37          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.64          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.11          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.80          _              _            false\n",
 "/QUESTDB_website/data/abs/nh2_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{NH2}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_1        1       2     A_1          _                                       2.12          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_FCI_aug-cc-pVDZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.46          _              _            false\n",
 "/QUESTDB_website/data/abs/aza-naphthalene_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Aza-naphthalene\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.76          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.96          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.83          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.13          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.64          _              _            false\n  1       1     A_g        2       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.25          _              _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.91          _              _            false\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.26          _              _            true\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.54          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.64          _              _            false\n  1       1     A_g        3       1     A_g          (\\mathrm{R};n \\rightarrow 3s)           6.98          _              _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.36          _              _            true\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.16          _              _            true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.15          _              _            true\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.15          _              _            true\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.80          _              _            true\n  1       1     A_g        2       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.29          _              _            true\n  1       1     A_g        2       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.29          _              _            true\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.22          _              _            true\n",
 "/QUESTDB_website/data/abs/hexatriene_SC-NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVTZ\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi\\rightarrow \\pi^\\star,\\pi^\\star) 5.67          _              _            false\n",
 "/QUESTDB_website/data/abs/benzoquinone_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Benzoquinone\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.15          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.30          _              _            false\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.90          _              _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.83          _              _            true\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.20          _              _            true\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.41          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.86          _              _            true\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.77          _              _            true\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.62          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.86          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.02          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.36          _              _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.68          _              _            false\n",
 "/QUESTDB_website/data/abs/co+_RO-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{CO+}\n# Comment  : \n# code     : \n# method   : RO-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Sigma^+   1       2     \\Pi          _                                       3.29          _              _            false\n  1       2     \\Sigma^+   2       2     \\Sigma^+     _                                       6.02          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_FCI_aug-cc-pVDZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.09          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    5.35          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.79          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow \\pi^\\star)             2.81          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.03          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3s)                    5.18          _              _            false\n  1       1     A_1        2       3     A_1          (\\pi \\rightarrow 3p)                    6.81          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_CC3(Full)_aug-cc-pCVQZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pCVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.97          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.61          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CASPT2_aug-cc-pVDZ_double.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.47          _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.39          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.08          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.01          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R})                            6.49          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.14          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.68          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_TBE_aug-cc-pVTZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : MRCC\n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.59          93.5           0.086        false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           8.16          93.7           0.006        false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           9.33          94.0           0.003        false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 4s)           9.96          93.6           0.008        false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.31          98.2           _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.88          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s/3p)        5.86          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.03          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.75          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.18          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           6.09          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.25          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.00          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.79          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.94          _              _            false\n  1       1     A_1        2       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.24          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_TBE(Full)_CBS.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : MRCC\n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.68          92.8           0.001        false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.78          95.1           0.071        false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.38          98.0           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.45          98.9           _            false\n",
 "/QUESTDB_website/data/abs/hoc_U-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{HOC}\n# Comment  : \n# code     : \n# method   : U-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A^\\prime   1       2     A^{\\prime\\prime} _                                       0.95          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CASPT2_aug-cc-pVDZ_double.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.88          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_CCSDT_6-31+G(d).dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               2.06          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.82          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_CC3_d-aug-cc-pVQZ.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             4.31          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    5.46          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3p)                    5.96          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.98          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             3.50          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.74          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_TBE_CBS_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : TBE,CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     double                                  5.23          1              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   double                                  5.86          1              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_CIS(D\u221e)_aug-cc-pVTZ.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CIS(D\u221e),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime    1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.24          _              _            false\n  1       1     A^\\prime    1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.83          _              _            false\n",
 "/QUESTDB_website/data/abs/beryllium_FCI_aug-cc-pVDZ_double.dat": "# Molecule : Beryllium\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : \n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     S          1       1     D            (2s,2s \\rightarrow 2p,2p)               7.22          _              _            false\n",
 "/QUESTDB_website/data/abs/allyl_U-CC3_aug-cc-pVTZ.dat": "# Molecule : Allyl\n# Comment  : \n# code     : \n# method   : U-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A_2        1       2     B_1          _                                       3.48          _              _            false\n  1       2     A_2        1       2     A_1          _                                       4.97          _              _            false\n",
 "/QUESTDB_website/data/abs/cno_U-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{CNO}\n# Comment  : \n# code     : \n# method   : U-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Sigma^+   2       2     \\Sigma^+     _                                       2.24          _              _            false\n  1       2     \\Sigma^+   1       2     \\Pi          _                                       5.68          _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.73          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.10          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         6.26          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.45          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.39          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         6.62          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.40          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.60          _              _            true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.06          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.87          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.33          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         6.23          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_FCI_aug-cc-pVTZ_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 12.92         _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.36          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.73          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.90          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.92          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.49          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.50          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.70          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.47          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.96          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.90          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.43          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.91          _              _            false\n  1       1     A_g        2       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.04          _              _            false\n  1       1     A_g        2       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.43          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CASPT2_aug-cc-pVQZ_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.17         _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.30          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.87          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.65          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.94          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.49          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.78          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_CC3_aug-cc-pVQZ.dat": "# Molecule : Propynal\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.83          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             5.50          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.50          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             4.44          _              _            false\n",
 "/QUESTDB_website/data/abs/naphthalene_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Naphthalene\n# Comment  : \n# code     : \n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.46          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.81          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.62          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.90          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.13          _              _            true\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{R};\\pi \\rightarrow 3p)         6.03          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{R};\\pi \\rightarrow 3p)         6.00          _              _            false\n  1       1     A_g        2       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.07          _              _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{R};\\pi \\rightarrow 3s)         6.33          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.39          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.52          _              _            false\n  1       1     A_g        3       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.20          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.32          _              _            true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.32          _              _            true\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.63          _              _            true\n  1       1     A_g        2       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.84          _              _            true\n  1       1     A_g        2       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.96          _              _            true\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.69          _              _            true\n  1       1     A_g        2       3     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.15          _              _            true\n  1       1     A_g        2       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.57          _              _            true\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.49          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.71          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.31          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.35          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.48          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.91          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.42          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.23          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.67          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.27          _              _            false\n",
 "/QUESTDB_website/data/abs/h2ps_U-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{H2PS}\n# Comment  : \n# code     : \n# method   : U-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A^\\prime     1       2     A^{\\prime\\prime} _                                       1.18          _              _            false\n  1       2     A^\\prime     2       2     A^\\prime     _                                       2.79          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : MOLPRO\n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   _                                       5.33          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     _                                       5.61          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   _                                       4.08          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     _                                       4.78          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_PC-NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.61          _              _            false\n  1       1     A_g        1       1     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 6.15          _              _            false\n  1       1     A_g        1       3     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 5.51          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridazine_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               3.86          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               4.39          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.30          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow \\pi^\\star)               5.78          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.06          _              _            false\n  1       1     A_1        2       1     B_1          (n \\rightarrow \\pi^\\star)               6.41          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.80          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               3.20          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               4.11          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.35          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.86          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.38          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.65          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.02          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.14          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.19          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.54          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         7.04          _              _            false\n",
 "/QUESTDB_website/data/abs/no_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{NO}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Pi        1       2     \\Sigma^+     _                                       6.13          _              _            false\n  1       2     \\Pi        2       2     \\Sigma^+     _                                       7.29          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienethione_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienethione\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.89          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.98          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.11          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.61          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.14          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.62          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_exp.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.26          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_CCSDTQ_6-31+G(d).dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : CFOUR\n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               3.44          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               3.45          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             4.62          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3s)                      5.27          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.51          _              _            false\n  1       1     A_1        3       1     B_2          (n \\rightarrow 3p)                      5.83          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_TBE(Full)_CBS.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.28          87.7           0.000        false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.56          91.0           _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.40          90.8           0.003        false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.56          86.5           0.047        false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          7.01          91.1           0.018        false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          7.08          91.2           0.003        false\n  1       1     A_1        3       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.26          90.8           0.320        false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.96          96.0           _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.91          97.9           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.37          97.5           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.81          98.1           _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_CCSD_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.51          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.84          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.98          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.41          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.55          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          6.03          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.34          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.69          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.16          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.97          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.78          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.48          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_CCSDT_6-31+G(d).dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             5.80          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    6.08          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.58          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.67          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    7.07          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.60          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             3.33          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.15          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    6.02          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3p)                    6.52          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_CC3_6-31+G(d)_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.28          0              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.97          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.18          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           8.08          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.17          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           8.63          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 9.20          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.51          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c3_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C3\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.71          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.66          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_SC-NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.78          _              _            false\n  1       1     A_g        1       1     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 6.27          _              _            false\n  1       1     A_g        1       3     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 5.64          _              _            false\n",
 "/QUESTDB_website/data/abs/aza-naphthalene_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Aza-naphthalene\n# Comment  : \n# code     : \n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.24          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.08          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.35          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.78          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.16          _              _            false\n  1       1     A_g        2       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.75          _              _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.33          _              _            false\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.51          _              _            true\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.67          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.26          _              _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.88          _              _            true\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.30          _              _            true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.44          _              _            true\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.71          _              _            true\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.42          _              _            true\n  1       1     A_g        2       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.96          _              _            true\n  1       1     A_g        2       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.44          _              _            true\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.82          _              _            true\n",
 "/QUESTDB_website/data/abs/sicl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : SCS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 4.02          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.48          _              _            false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_TBE_aug-cc-pVTZ.dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.74          93.1           _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.00          91.4           _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.52          93.3           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.03          98.2           _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.44          98.9           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.80          98.4           _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.42          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.09          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.69          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.12          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.43          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           5.92          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CASPT2_6-31+G(d)_double.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : CASPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.93          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.62          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.86          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.48          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.14          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.59          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.53          _              _            false\n  1       1     A^\\prime   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.69          _              _            false\n  1       1     A^\\prime   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.11          _              _            false\n  1       1     A^\\prime   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.10          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_PC-NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi,\\pi)           6.70          _              _            false\n",
 "/QUESTDB_website/data/abs/beryllium_FCI_aug-cc-pVQZ_double.dat": "# Molecule : Beryllium\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVQZ\n# geom     : \n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     S          1       1     D            (2s,2s \\rightarrow 2p,2p)               7.11          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_CASPT2_6-31+G(d)_double.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : \n# method   : CASPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   8.06          _              _            false\n  1       1     A_g        3       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.91          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.84          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.14          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CC3(Full)_d-aug-cc-pV5Z.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 4p)                      6.11          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow 4s)                      6.29          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 4p)                      5.75          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 4s)                      5.94          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Formamide\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.75          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.42          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.63          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_SC-NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.81          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_CC3_aug-cc-pVDZ_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     3.11          0              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     3.28          0              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_FCI_6-31+G(d).dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     _                                       6.02          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       _                                       6.28          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     _                                       4.45          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       _                                       5.32          _              _            false\n",
 "/QUESTDB_website/data/abs/beryllium_TBE_CBS_double.dat": "# Molecule : Beryllium\n# Comment  : \n# code     : \n# method   : TBE,CBS\n# geom     : \n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     S          1       1     D            double                                  7.06          34             _            false\n",
 "/QUESTDB_website/data/abs/acetone_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Acetone\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.37          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.87          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          6.81          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          6.85          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          6.99          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.00          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.37          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.68          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         5.91          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.50          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.58          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.66          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.15          _              _            true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.47          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.11          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         5.89          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.48          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CASPT2_6-31+G(d)_double.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : CASPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.58          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.39          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.00          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.69          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.06          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.45          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           5.83          _              _            false\n",
 "/QUESTDB_website/data/abs/furan_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Furan\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         6.17          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.50          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.81          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.70          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.88          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.38          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.41          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.55          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         6.14          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.67          _              _            false\n",
 "/QUESTDB_website/data/abs/octatetraene_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Octatetraene\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.69          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.36          _              _            true\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.64          _              _            true\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.92          _              _            true\n",
 "/QUESTDB_website/data/abs/formylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [QM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.78          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.48          _              _            false\n",
 "/QUESTDB_website/data/abs/maleimide_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Maleimide\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.03          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.80          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.11          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.43          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.17          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.81          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.90          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.55          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.57          _              _            false\n",
 "/QUESTDB_website/data/abs/cf2_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.15          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.84          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_CC3_aug-cc-pVDZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.93          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.45          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.64          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         5.95          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.54          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.62          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.70          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.16          _              _            true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.47          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.11          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         5.93          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.52          _              _            false\n",
 "/QUESTDB_website/data/abs/nh2_U-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{NH2}\n# Comment  : \n# code     : \n# method   : U-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_1        1       2     A_1          _                                       2.13          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_CCSDT_aug-cc-pVTZ_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.57          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.86          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_CASPT2_aug-cc-pVDZ_double.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   7.91          _              _            false\n  1       1     A_g        3       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.85          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.07          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.29          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.38          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.52          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_CC3_aug-cc-pVQZ.dat": "# Molecule : Formamide\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.66          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (n \\rightarrow 3s)                      6.78          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             7.63          _              _            true\n  1       1     A^\\prime   4       1     A^\\prime     (n \\rightarrow 3p)                      7.43          _              _            true\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.39          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.83          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Formamide\n# Comment  : \n# code     : MRCC\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.75          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s)           7.20          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.80          _              _            true\n  1       1     A^\\prime   4       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3p)           8.12          _              _            true\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.42          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.63          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.73          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.00          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.32          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CC3_aug-cc-pVDZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (n \\rightarrow \\pi^\\star)               9.44          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             10.06         _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             10.43         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            13.23         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.28         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.14         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.64         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\pi \\rightarrow \\pi^\\star)             7.67          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (n \\rightarrow \\pi^\\star)               8.07          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             8.97          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             9.78          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_TBE(Full)_CBS.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.79          87.6           0.000        false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.69          91.2           0.344        false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.74          79.4           0.000        true\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          7.12          89.4           0.109        false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.50          97.0           _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.95          98.6           _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.19          98.4           _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.55          92.7           _            true\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CC3_aug-cc-pVQZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.89          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_CC3_aug-cc-pVTZ_double.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   9.17          12             _            false\n  1       1     A_g        3       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.69          71             _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_CCSDTQ_6-31+G(d).dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   _                                       6.62          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     _                                       6.88          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   _                                       4.94          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_CC3_aug-cc-pVDZ.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (n \\rightarrow \\pi^\\star)               4.19          _              _            false\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               4.98          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.07          _              _            false\n  1       1     A_g        1       1     B_{2g}       (n \\rightarrow \\pi^\\star)               5.78          _              _            false\n  1       1     A_g        2       1     A_g          (n \\rightarrow 3s)                      6.54          _              _            false\n  1       1     A_g        1       1     B_{1g}       (n \\rightarrow \\pi^\\star)               6.75          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             6.92          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\pi \\rightarrow 3s)                    7.13          _              _            false\n  1       1     A_g        2       1     B_{2u}       (n \\rightarrow 3p)                      7.14          _              _            false\n  1       1     A_g        2       1     B_{1u}       (n \\rightarrow 3p)                      7.38          _              _            false\n  1       1     A_g        3       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             7.99          _              _            false\n  1       1     A_g        1       3     B_{3u}       (n \\rightarrow \\pi^\\star)               3.60          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.40          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             4.46          _              _            false\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               4.93          _              _            false\n  1       1     A_g        1       3     B_{2g}       (n \\rightarrow \\pi^\\star)               5.11          _              _            false\n  1       1     A_g        2       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             5.32          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : MRCC\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.32          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.79          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.27         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            13.00         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.15         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.08         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.70         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.70          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.98          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.80          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.69          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_CCSDTQ_6-31+G(d).dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   _                                       5.56          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   _                                       4.09          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     _                                       4.92          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c5_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C5\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.56          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.73          _              _            false\n",
 "/QUESTDB_website/data/abs/h2ps_RO-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{H2PS}\n# Comment  : \n# code     : \n# method   : RO-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A^\\prime     1       2     A^{\\prime\\prime} _                                       1.14          _              _            false\n  1       2     A^\\prime     2       2     A^\\prime     _                                       2.77          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_PC-NEVPT2_6-31+G(d)_double.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,6-31+G(d)\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi\\rightarrow \\pi^\\star,\\pi^\\star) 5.67          _              _            false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_SCS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : \n# method   : SCS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.90          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.25          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.65          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.23          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.63          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.13          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   _                                       6.38          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     _                                       6.65          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   _                                       4.91          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_SC-NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.11          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.44          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CC3_aug-cc-pVDZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.82          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.21          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_CCSD_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.53          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.63          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.44          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.82          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          7.09          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          7.12          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.35          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.18          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.91          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.40          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.76          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_PC-NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.70          _              _            false\n  1       1     A_g        1       1     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 6.22          _              _            false\n  1       1     A_g        1       3     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 5.58          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_exp.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.83          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.73          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             6.69          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_CC3_6-31+G(d).dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.66          _              _            false\n",
 "/QUESTDB_website/data/abs/imidazole_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Imidazole\n# Comment  : \n# code     : MOLPRO\n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\pi \\rightarrow 3s)                    5.93          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             6.73          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               6.96          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi \\rightarrow 3p)                    7.00          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             4.86          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\pi \\rightarrow 3s)                    5.91          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.91          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               6.48          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_TBE_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.39          94.1           _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.66          93.4           _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.91          98.5           _            false\n",
 "/QUESTDB_website/data/abs/triazine_exp.dat": "# Molecule : Triazine\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.59          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.97          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\pi \\rightarrow \\pi^\\star)             5.70          _              _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\pi \\rightarrow \\pi^\\star)             6.86          _              _            false\n  1       1     A_1^\\prime 2       1     E^\\prime     (\\pi \\rightarrow \\pi^\\star)             7.76          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\sigma \\rightarrow \\pi^\\star)          6.71          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.78          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.35          _              _            false\n  1       1     A_1        1       3     B_1          (\\sigma \\rightarrow \\pi^\\star)          6.43          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CC3_aug-cc-pVDZ_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   11.22         4              _            false\n",
 "/QUESTDB_website/data/abs/ketene_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.88          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow 3s)                      6.01          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    7.20          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.78          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.60          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3s)                      5.82          _              _            false\n  1       1     A_1        2       3     A_2          (\\pi \\rightarrow 3p)                    7.16          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.73          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.78          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.46          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.44          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.45          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.64          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.36          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.69          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           6.99          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.01          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.20          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.21          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.02          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.52          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.90          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : MRCC\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.36          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.90          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.33         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            13.04         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.28         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.14         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.52         _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CC3(Full)_aug-cc-pV5Z.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 4p)                      6.12          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow 4s)                      6.29          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 4p)                      5.76          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 4s)                      5.94          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Formamide\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.68          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (n \\rightarrow 3s)                      6.64          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             7.62          _              _            true\n  1       1     A^\\prime   4       1     A^\\prime     (n \\rightarrow 3p)                      7.29          _              _            true\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.39          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.81          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridazine_CC3_aug-cc-pVQZ.dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               3.83          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               4.38          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.29          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow \\pi^\\star)               5.74          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.21          _              _            false\n  1       1     A_1        2       1     B_1          (n \\rightarrow \\pi^\\star)               6.37          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.73          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               3.20          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               4.12          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.39          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.82          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.76          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.51          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          7.57          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.45          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.66          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.86          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_CC3_6-31+G(d).dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.05          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.37          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.83          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.80          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.02          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.20          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.86          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.32          _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.59          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.11          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.22          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.86          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.63          _              _            false\n",
 "/QUESTDB_website/data/abs/diazirine_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Diazirine\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.28          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 7.52          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           7.67          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.22          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.61          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.29          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.28          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           6.96          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Propynal\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.80          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             5.54          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_SC-NEVPT2_6-31+G(d)_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.58          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienone\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.14          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.94          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.78          _              _            true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.57          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.87          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.28          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.95          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.16          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           8.07          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.16          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           8.61          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 9.17          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.49          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.56          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.05          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.02          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.90          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.06          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3d)           8.40          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.51          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.76          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.39          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.03          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.05          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.41          _              _            false\n  1       1     A_g        2       1     B_g          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.16          _              _            false\n  1       1     A_g        1       1     B_u          (\\mathrm{R};n \\rightarrow 3p)           7.90          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.60          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.96          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.32          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.38          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_FCI_aug-cc-pVDZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.04          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c5_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C5\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.86          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.65          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.42          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.73          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.00          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.20          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.40          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.54          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.36          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.78          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.79          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.45          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.16          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.41          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.01          _              _            false\n  1       1     A_g        2       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.12          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.37          _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.32          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.01          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CCSDTQP_6-31+G(d)_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CCSDTQP,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.86         _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_SC-NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.58          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CC3(Full)_aug-cc-pV5Z.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3s)                      6.63          _              _            false\n  1       1     A_1        1       1     E            (n \\rightarrow 3p)                      8.18          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      8.91          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 4s)                      9.61          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3s)                      6.35          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.00          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CCSDT_aug-cc-pVDZ_double.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   6.22          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_SC-NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.68          _              _            false\n  1       1     A_g        1       1     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 6.20          _              _            false\n  1       1     A_g        1       3     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 5.57          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Formamide\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.45          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.15          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.88          _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.38          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.89          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.46          _              _            false\n",
 "/QUESTDB_website/data/abs/h2ps_RO-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{H2PS}\n# Comment  : \n# code     : \n# method   : RO-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A^\\prime     1       2     A^{\\prime\\prime} _                                       1.15          _              _            false\n  1       2     A^\\prime     2       2     A^\\prime     _                                       2.75          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_PC-NEVPT2_6-31+G(d)_double.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi,\\pi)           6.75          _              _            false\n",
 "/QUESTDB_website/data/abs/water_CC3(Full)_t-aug-cc-pVQZ.dat": "# Molecule : Water\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),t-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow 3s)                      7.66          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3p)                      9.42          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3s)                      9.94          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3s)                      7.29          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3p)                      9.26          _              _            false\n  1       1     A_1        1       3     A_1          (n \\rightarrow 3s)                      9.56          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_CC2_aug-cc-pVTZ.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.51          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.76          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.39          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.03          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.42          _              _            false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           7.93          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           9.05          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           9.71          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.23          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.39          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.85          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.21          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.81          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.35          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.65          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.05          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.13          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.44          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.79          _              _            true\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.98          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.24          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.41          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           5.53          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.78          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           6.48          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           6.58          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.16          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.38          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_CC3(SC)_aug-cc-pVQZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : CC3(SC),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.59          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.36          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.21          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.29          _              _            false\n",
 "/QUESTDB_website/data/abs/triazine_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Triazine\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.74          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.78          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.81          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\pi \\rightarrow \\pi^\\star)             5.78          _              _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\pi \\rightarrow \\pi^\\star)             7.31          _              _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (n \\rightarrow 3s)                      7.21          _              _            false\n  1       1     A_1^\\prime 2       1     E^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               7.80          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.35          _              _            false\n  1       1     A_1^\\prime 1       3     E^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.52          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.76          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^\\prime   (\\pi \\rightarrow \\pi^\\star)             4.85          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^\\prime   (\\pi \\rightarrow \\pi^\\star)             6.68          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : MRCC\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.76          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.40          _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : MRCC\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.27          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.86          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.32          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.79          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.27         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            13.00         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.15         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.08         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.70         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.70          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.98          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.80          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.69          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_CCSDTQ_aug-cc-pVDZ_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.42          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_XMS-CASPT2_6-31+G(d)_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : XMS-CASPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     2       1     A_{1g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 10.77         _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_CCSDTQ_6-31+G(d).dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.10          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.88          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.41          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.77          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.54          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.96          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.25          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.20          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.84          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.07          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.60          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.17          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_CASPT2_aug-cc-pVTZ_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.24          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.53          _              _            false\n",
 "/QUESTDB_website/data/abs/bef_U-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{BeF}\n# Comment  : \n# code     : \n# method   : U-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Sigma^+   1       2     \\Pi          _                                       4.18          _              _            false\n  1       2     \\Sigma^+   2       2     \\Sigma^+     _                                       6.31          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_FCI_aug-cc-pVDZ.dat": "# Molecule : Formamide\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.70          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (n \\rightarrow 3s)                      6.67          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             7.64          _              _            true\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.42          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.82          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.58          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.40          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.50          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.23          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{R};n \\rightarrow 3s)           7.04          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.30          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.14          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.50          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{R};n \\rightarrow 3p)           7.66          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.94          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.60          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.72          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.34          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.39          _              _            false\n  1       1     A_g        2       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.70          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_CC3_aug-cc-pVDZ_double.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   6.22          1              _            false\n  1       1     A_g        1       1     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 7.62          2              _            false\n  1       1     A_g        1       3     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 7.33          5              _            false\n",
 "/QUESTDB_website/data/abs/ph2_U-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{PH2}\n# Comment  : \n# code     : \n# method   : U-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_1        1       2     A_1          _                                       2.81          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : MRCC\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.97          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_CASPT2_6-31+G(d)_double.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : CASPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.86          _              _            false\n  1       1     A_g        1       1     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 6.00          _              _            false\n  1       1     A_g        1       3     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 5.54          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.61          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.41          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.14          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.97          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.03          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.71          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{R}; n \\rightarrow 3s)          6.66          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.73          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.86          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        7.20          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{R}; n \\rightarrow 3p)          7.25          _              _            false\n  1       1     A_g        2       1     B_{1u}       (\\mathrm{R}; n \\rightarrow 3p)          7.45          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.59          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.39          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.40          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.93          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.08          _              _            false\n  1       1     A_g        2       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.29          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_CCSDTQP_6-31+G(d)_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : CCSDTQP,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.51          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.46          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.89          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.42          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.00          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.37          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.68          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.67          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.08          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.66          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.88          _              _            false\n",
 "/QUESTDB_website/data/abs/no_U-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{NO}\n# Comment  : \n# code     : \n# method   : U-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Pi        1       2     \\Sigma^+     _                                       6.23          _              _            false\n  1       2     \\Pi        2       2     \\Sigma^+     _                                       7.40          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CC3_aug-cc-pVDZ_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.57         15             _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.13          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.48          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.70          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           5.85          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.12          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           6.69          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           6.84          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.49          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.55          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_CCSD_aug-cc-pVTZ.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.15          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.83          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_FCI_aug-cc-pVQZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3s)                      6.64          _              _            false\n  1       1     A_1        1       1     E            (n \\rightarrow 3p)                      8.22          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      9.14          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3s)                      6.35          _              _            false\n",
 "/QUESTDB_website/data/abs/maleimide_CCSD_aug-cc-pVTZ.dat": "# Molecule : Maleimide\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.07          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.82          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.16          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.48          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.46          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.78          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.71          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.35          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.51          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.72          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.02          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.35          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.36          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.12         _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.50         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            13.15         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.45         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.25         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.82         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.41          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.28          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.24          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.09         _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.57          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_CCSDTQ_6-31+G(d)_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.54          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.46          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.80          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.81          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_CC3_aug-cc-pVDZ_double.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi\\rightarrow \\pi^\\star,\\pi^\\star) 5.77          67             _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_CC3_aug-cc-pVQZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.31          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.03          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.07          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.45          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.84          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.83          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.03          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.31          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.80          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : MOLPRO\n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (n \\rightarrow \\pi^\\star)               2.35          _              _            false\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               3.58          _              _            false\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star, \\pi^\\star)  4.61          _              _            true\n  1       1     A_g        1       1     B_{1g}       (n \\rightarrow \\pi^\\star)               4.95          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.56          _              _            false\n  1       1     A_g        1       1     B_{2g}       (n \\rightarrow \\pi^\\star)               5.63          _              _            false\n  1       1     A_g        2       1     A_u          (n \\rightarrow \\pi^\\star)               5.62          _              _            false\n  1       1     A_g        1       1     B_{3g}       (n,n \\rightarrow \\pi^\\star, \\pi^\\star)  6.15          _              _            true\n  1       1     A_g        2       1     B_{2g}       (n \\rightarrow \\pi^\\star)               6.13          _              _            false\n  1       1     A_g        2       1     B_{1g}       (n \\rightarrow \\pi^\\star)               6.76          _              _            false\n  1       1     A_g        1       3     B_{3u}       (n \\rightarrow \\pi^\\star)               1.73          _              _            false\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               3.36          _              _            false\n  1       1     A_g        1       3     B_{1g}       (n \\rightarrow \\pi^\\star)               4.24          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.70          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             4.58          _              _            false\n  1       1     A_g        1       3     B_{2g}       (n \\rightarrow \\pi^\\star)               5.27          _              _            false\n  1       1     A_g        2       3     A_u          (n \\rightarrow \\pi^\\star)               5.13          _              _            false\n  1       1     A_g        1       3     B_{3g}       (n,n \\rightarrow \\pi^\\star, \\pi^\\star)  5.51          _              _            true\n  1       1     A_g        2       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             5.56          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_SC-NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi,\\pi)           6.82          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.49          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.71          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.31          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.35          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.48          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.42          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.23          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.67          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.27          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_CC3_aug-cc-pVQZ.dat": "# Molecule : Acetone\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               4.49          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.48          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 3p)                      7.48          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      7.52          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3p)                      7.60          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               4.17          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.30          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CC3_aug-cc-pVQZ_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   11.19         34             _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CC3(Full)_d-aug-cc-pVQZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V}; n \\rightarrow \\pi^\\star)   9.32          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.87          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 10.27         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R}; n \\rightarrow \\sigma^\\star) 12.28         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            12.90         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R}; n \\rightarrow \\sigma^\\star) 12.96         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.31         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.70          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V}; n \\rightarrow \\pi^\\star)   8.03          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.86          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.67          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_CCSD_aug-cc-pVTZ.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.91          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.87          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   7.27          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          7.24          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.55          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.88          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.14          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   7.08          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_CCSDT_6-31+G(d).dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.04          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_FCI_6-31+G(d)_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.86         _              _            false\n",
 "/QUESTDB_website/data/abs/maleimide_TBE_aug-cc-pVTZ.dat": "# Molecule : Maleimide\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.80          87.6           0.000        false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.52          85.9           _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.89          88.2           0.025        false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.21          89.1           0.373        false\n  1       1     A_1        3       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.20          89.1           0.034        false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.57          96.3           _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.74          98.4           _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.24          96.9           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.32          96.1           _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_exp.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.14          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.9           _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_SC-NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.00          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.54          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.77          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.09          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.31          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.64          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.63          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.34          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   7.04          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CC3_aug-cc-pVTZ.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.88          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.27          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V}; n,n  \\rightarrow \\pi^\\star,\\pi^\\star) 6.76          _              _            true\n  1       1     A_g        2       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.58          _              _            false\n  1       1     A_g        1       1     B_u          (\\mathrm{R}; n \\rightarrow 3p)          7.67          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.49          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.90          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.17          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.30          _              _            false\n",
 "/QUESTDB_website/data/abs/water_FCI_aug-cc-pVDZ.dat": "# Molecule : Water\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow 3s)                      7.53          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3p)                      9.32          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3s)                      9.94          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3s)                      7.14          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3p)                      9.14          _              _            false\n  1       1     A_1        1       3     A_1          (n \\rightarrow 3s)                      9.49          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.96          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s/3p)        6.31          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.14          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.51          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.99          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacrolein_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Thioacrolein\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.14          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.90          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_CASPT2_aug-cc-pVTZ_double.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi,\\pi)           6.74          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Acetone\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               4.48          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.30          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 3p)                      7.36          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      7.38          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3p)                      7.55          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               4.14          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.28          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   _                                       5.45          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     _                                       5.70          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   _                                       4.06          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     _                                       4.85          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.07          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_XMS-CASPT2_6-31+G(d)_double.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : XMS-CASPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.18          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_CC3_aug-cc-pVDZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.26          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.63          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.57          _              _            false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           8.14          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           9.31          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 4s)           9.94          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.29          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_CC3_aug-cc-pVQZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.88          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow 3s)                      6.00          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    7.19          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.79          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.62          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3s)                      5.81          _              _            false\n  1       1     A_1        2       3     A_2          (\\pi \\rightarrow 3p)                    7.15          _              _            false\n",
 "/QUESTDB_website/data/abs/water_FCI_aug-cc-pVQZ.dat": "# Molecule : Water\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow 3s)                      7.68          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3p)                      9.46          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3s)                      10.02         _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3s)                      7.30          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3p)                      9.28          _              _            false\n  1       1     A_1        1       3     A_1          (n \\rightarrow 3s)                      9.58          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_SC-NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.30         _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.85          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.16          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_SC-NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   8.15          _              _            false\n  1       1     A_g        3       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 9.12          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.87          _              _            false\n",
 "/QUESTDB_website/data/abs/furan_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Furan\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.06          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.45          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.77          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.59          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.75          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.25          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.43          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.66          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.01          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.55          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_CCSDT_6-31+G(d).dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               4.34          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               5.65          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.38          _              _            false\n  1       1     A_1        2       1     B_2          _                                       6.67          _              _            false\n  1       1     A_1        3       1     B_2          (n \\rightarrow 3p)                      6.91          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      7.00          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             8.49          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               4.03          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.92          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               5.44          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.88          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.20          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.45          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.39          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.61          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.24          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : MRCC\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.90          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.90          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.55          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.49          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.34          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienethione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienethione\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.68          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.93          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.84          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.47          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.08          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.48          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_CC3_aug-cc-pVQZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               2.23          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 4s)                      5.95          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.46          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               1.95          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             3.40          _              _            false\n  1       1     A_1        1       3     B_2          (n \\rightarrow 4s)                      5.75          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_SC-NEVPT2_6-31+G(d)_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.21          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.98          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_CC3_6-31+G(d).dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.91          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             6.64          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.53          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.07          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.21          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.42          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.17          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.47          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           6.80          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           6.83          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.01          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.99          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.88          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.32          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.74          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_CCSDT_6-31+G(d).dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.25          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.52          _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.29          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.89          _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.18          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.89          _              _            false\n",
 "/QUESTDB_website/data/abs/f2bo_U-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{F2BO}\n# Comment  : \n# code     : \n# method   : U-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_2        1       2     B_1          _                                       0.74          _              _            false\n  1       2     B_2        1       2     A_1          _                                       2.84          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_CCSDT_6-31+G(d).dat": "# Molecule : Formamide\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.79          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.52          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.90          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Ketene\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.17          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.94          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.09          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.98          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.72          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.77          _              _            false\n  1       1     A_1        2       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.06          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CC3_t-aug-cc-pVQZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : Dalton\n# method   : CC3,t-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.88          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.92          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.01          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.49          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.69          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.27          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.65          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.32          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.60          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          6.48          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          6.54          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.22          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.15          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.26          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.96          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.97          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.14          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.89          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.91          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.11          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.29          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.69          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.26          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.11          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.23          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.84          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.26          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.48          _              _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        6.47          _              _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.00          _              _            false\n  1       1     A_{1g}     1       1     E_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.06          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.37          _              _            false\n  1       1     A_{1g}     1       3     E_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.08          _              _            false\n  1       1     A_{1g}     1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.89          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.51          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.94          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.44          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.02          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.36          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.81          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.89          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_TBE(Full)_CBS.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.88          91.0           0.000        false\n  1       1     A_g        1       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.25          88.3           _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V}; n,n  \\rightarrow \\pi^\\star,\\pi^\\star) 5.60          0.5            _            true\n  1       1     A_g        2       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.58          83.9           _            false\n  1       1     A_g        1       1     B_u          (\\mathrm{R}; n \\rightarrow 3p)          7.78          91.7           0.095        false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.50          97.6           _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.91          97.4           _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.17          98.5           _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.31          98.8           _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_CC3_aug-cc-pVTZ.dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.44          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.86          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.41          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.93          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.26          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.72          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.87          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.10          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.55          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.66          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.96          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_CC3_aug-cc-pV5Z.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.96          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_CC3_aug-cc-pVTZ_double.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.08          75             _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_CC3_d-aug-cc-pVQZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CC3,d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   _                                       6.38          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     _                                       6.64          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   _                                       4.91          _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.65          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.96          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.14          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.14          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.25          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.50          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.29          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.94          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.77          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.95          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.09          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CCSDTQ_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.96          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.21          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           8.11          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.21          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           8.66          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 9.18          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.44          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.57          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.06          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.07          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.94          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.11          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3d)           8.41          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.91          _              _            false\n",
 "/QUESTDB_website/data/abs/vinyl_RO-CCSD_aug-cc-pVTZ.dat": "# Molecule : Vinyl\n# Comment  : \n# code     : \n# method   : RO-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A^{\\prime\\prime}   2       2     A^{\\prime\\prime} _                                       3.35          _              _            false\n  1       2     A^{\\prime\\prime}   3       2     A^{\\prime\\prime} _                                       4.80          _              _            false\n  1       2     A^{\\prime\\prime}   1       2     A^\\prime     _                                       6.32          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_TBE_aug-cc-pVTZ.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.37          92.2           1.115        false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.62          65.3           _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.79          93.6           0.009        false\n  1       1     A_g        1       1     B_g          (\\mathrm{R};\\pi \\rightarrow 3p)         5.94          93.5           _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.73          97.9           _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.36          98.3           _            false\n",
 "/QUESTDB_website/data/abs/isobutene_TBE_aug-cc-pVTZ.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.46          94.1           0.006        false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.01          94.2           0.228        false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.53          98.9           _            false\n",
 "/QUESTDB_website/data/abs/hps_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.75          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.12          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.58          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.50          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.16          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.48          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_CC3_aug-cc-pVTZ.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.34          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.61          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.08          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.80          _              _            false\n",
 "/QUESTDB_website/data/abs/water_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Water\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.60          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          9.38          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.96          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_XMS-CASPT2_aug-cc-pVDZ_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : XMS-CASPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.47         _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c3_CCSD_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C3\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.94          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.40          _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.43          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.97          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.62          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_CC3_aug-cc-pVDZ.dat": "# Molecule : Acetone\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               4.50          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.31          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 3p)                      7.37          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      7.39          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3p)                      7.56          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               4.16          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.31          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_CC3_aug-cc-pVQZ.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    5.27          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.01          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.03          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.22          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.31          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    6.74          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.53          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    5.24          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.47          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3p)                    5.95          _              _            false\n",
 "/QUESTDB_website/data/abs/water_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Water\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.23          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          8.89          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.58          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; n \\rightarrow 3s)          6.91          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; n \\rightarrow 3p)          8.77          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.20          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_CCSDTQ_aug-cc-pVTZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.20          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.61          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_TBE(Full)_CBS.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.32          94.4           _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.60          94.1           _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.13          98.5           _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.78          98.2           _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : MRCC\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.78          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.13         _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.41         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            11.48         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.71         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            12.06         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.51          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.63          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.44          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.10         _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.98         _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CIS(D\u221e)_aug-cc-pVTZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : MRCC\n# method   : CIS(D\u221e),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 4p)           6.37          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 4s)           6.34          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 4p)           5.91          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 4s)           5.96          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.91          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.30          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V}; n,n  \\rightarrow \\pi^\\star,\\pi^\\star) 7.26          _              _            true\n  1       1     A_g        2       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.73          _              _            false\n  1       1     A_g        1       1     B_u          (\\mathrm{R}; n \\rightarrow 3p)          7.74          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3s)                      6.46          _              _            false\n  1       1     A_1        1       1     E            (n \\rightarrow 3p)                      8.06          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      9.66          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 4s)                      10.39         _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3s)                      6.18          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c3_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C3\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.89          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.66          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_CCSDT_aug-cc-pVQZ_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.92          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     6.58          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.38          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.37          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.72          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.17          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.36          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          5.77          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.23          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.26          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.12          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.04          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_FCI_aug-cc-pVDZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.06          _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime    1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.32          _              _            false\n  1       1     A^\\prime    1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.95          _              _            false\n",
 "/QUESTDB_website/data/abs/diazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Diazirine\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.14          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 7.39          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           7.58          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.07          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.60          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.14          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.37          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           6.85          _              _            false\n",
 "/QUESTDB_website/data/abs/cf2_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.09          94.7           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.77          99.1           _            false\n",
 "/QUESTDB_website/data/abs/acrolein_CC3_aug-cc-pVQZ.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.75          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             6.65          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               6.77          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (n \\rightarrow 3s)                      7.11          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.47          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             3.95          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             6.20          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               6.63          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_CC3_6-31+G(d).dat": "# Molecule : Ketene\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.86          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.91          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.34          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.78          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.63          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.68          _              _            false\n  1       1     A_1        2       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.27          _              _            false\n",
 "/QUESTDB_website/data/abs/benzoquinone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Benzoquinone\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.95          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.06          _              _            false\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.88          _              _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.59          _              _            true\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.17          _              _            true\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.35          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.80          _              _            true\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.67          _              _            true\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.50          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.71          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.83          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.22          _              _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.60          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_CASPT2_aug-cc-pVTZ_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.08          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.82          _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_CCSDT_6-31+G(d).dat": "# Molecule : Thiophene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.77          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.24          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    6.26          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.17          _              _            false\n  1       1     A_1        2       1     B_1          (\\pi \\rightarrow 3s)                    6.62          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    7.44          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             7.46          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             3.94          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.90          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3p)                    5.98          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    6.20          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_FCI_aug-cc-pVDZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               2.26          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 4s)                      5.83          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.5           _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               1.97          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             3.45          _              _            false\n  1       1     A_1        1       3     B_2          (n \\rightarrow 4s)                      5.66          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.99          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.67          _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : SOS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.48          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.24          _              _            false\n",
 "/QUESTDB_website/data/abs/benzoquinone_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Benzoquinone\n# Comment  : \n# code     : \n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.72          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.84          _              _            false\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.73          _              _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.42          _              _            true\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.57          _              _            true\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.71          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.27          _              _            true\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.29          _              _            true\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.20          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.42          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.55          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.26          _              _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.57          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_CIS(D\u221e)_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : CIS(D\u221e),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.24          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.56          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.75          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.57          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.27          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_FCI_aug-cc-pVDZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (n \\rightarrow \\pi^\\star)               8.57          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\pi \\rightarrow \\pi^\\star)             10.05         _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\pi \\rightarrow \\pi^\\star)             10.16         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.94         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.52         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.76         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (n \\rightarrow \\pi^\\star)               6.29          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\pi \\rightarrow \\pi^\\star)             8.46          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\pi \\rightarrow \\pi^\\star)             9.33          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\pi \\rightarrow \\pi^\\star)             9.83          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.41         _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Acetone\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.68          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.59          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           7.51          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.56          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.64          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.38          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.43          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [QM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.60          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CCSDT_6-31+G(d).dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.44          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.10         _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.48         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            13.26         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.32         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.51         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.82         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.68          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.09          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.99          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.78          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Pyridine\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.04          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.23          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.46          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.67          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          6.83          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.83          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.40          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.40          _              _            false\n  1       1     A_1        4       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.44          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Pyridine\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.98          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.33          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.27          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.31          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          6.65          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.83          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.87          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.38          _              _            false\n  1       1     A_1        4       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.48          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.53          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.47          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.98          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.28          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.23          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.35          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_CC3_aug-cc-pVQZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.99          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.63          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_exp.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (n \\rightarrow \\pi^\\star)               9.31          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             9.92          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             10.27         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            12.78         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            12.96         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.10         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\pi \\rightarrow \\pi^\\star)             7.75          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (n \\rightarrow \\pi^\\star)               8.04          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             8.88          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             9.67          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           6.20          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3p)           6.30          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3p)           5.85          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3p)           5.97          _              _            false\n",
 "/QUESTDB_website/data/abs/cf2_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.11          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.71          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : MRCC\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.79          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_CASPT2_aug-cc-pVQZ_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.34          _              _            false\n",
 "/QUESTDB_website/data/abs/h2bo_RO-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{H2BO}\n# Comment  : \n# code     : \n# method   : RO-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_2        1       2     B_1          _                                       2.17          _              _            false\n  1       2     B_2        1       2     A_1          _                                       3.52          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    5.24          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.00          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.26          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.30          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CC2_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.07          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.56          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.57          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.52          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           8.04          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 9.32          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.54          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.59          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.30          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.44          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.45          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.44          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3d)           8.52          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.64          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.50          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.23          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.46          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CC2_aug-cc-pVTZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : MRCC\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.44          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.32         _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.86         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            12.83         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.15         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            12.89         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.96         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.19          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.19          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.30          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.29         _              _            false\n",
 "/QUESTDB_website/data/abs/imidazole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Imidazole\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{R};\\pi \\rightarrow 3s)         5.84          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.37          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.56          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.77          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{R};\\pi \\rightarrow 3s)         5.82          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.68          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.35          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.87          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Pyridine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.99          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.21          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.48          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.74          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          6.52          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.74          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.29          _              _            false\n  1       1     A_1        4       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.38          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.29          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.45          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.74          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.02          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.43          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.17          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.96          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V};n,n \\rightarrow \\pi^\\star,\\pi^\\star) 6.02          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s/3p)        6.38          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : MRCC\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.63          _              _            false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           8.21          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           9.38          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 4s)           10.00         _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.31          _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_CCSDT_6-31+G(d).dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime    1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.37          _              _            false\n  1       1     A^\\prime    1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.02          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.51          _              _            false\n",
 "/QUESTDB_website/data/abs/benzoquinone_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Benzoquinone\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.02          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.18          _              _            false\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.89          _              _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.59          _              _            true\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.80          _              _            true\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.55          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.78          _              _            true\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.74          _              _            true\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.23          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.74          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.91          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.47          _              _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.72          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.61          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.57          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.11          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.45          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienone_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienone\n# Comment  : \n# code     : \n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.71          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.63          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.42          _              _            true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.36          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.39          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.27          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CCSDTQ_aug-cc-pVDZ_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.44         _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.24          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.98          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.01          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.25          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.32          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.83          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.53          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.21          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.46          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.92          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.56          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.78          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.41          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.46          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.56          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.66          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.07          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.40          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.74          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.44          _              _            false\n",
 "/QUESTDB_website/data/abs/triazine_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Triazine\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.59          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.86          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.84          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.83          _              _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.39          _              _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          7.83          _              _            false\n  1       1     A_1^\\prime 2       1     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.84          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.52          _              _            false\n  1       1     A_1^\\prime 1       3     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.71          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.65          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.27          _              _            false\n  1       1     A_1^\\prime 1       3     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.91          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.71          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_CC3(SC)_aug-cc-pVQZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : CC3(SC),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.47          _              _            false\n",
 "/QUESTDB_website/data/abs/benzoquinone_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Benzoquinone\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.30          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.45          _              _            false\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.03          _              _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.96          _              _            true\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.50          _              _            true\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.72          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.14          _              _            true\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.96          _              _            true\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.81          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.03          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.19          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.39          _              _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.73          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : MRCC\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.20          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.62          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_CC2_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.37          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.53          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.00          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.08          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.25          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.53          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         7.04          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_CC2_aug-cc-pVTZ.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.38          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.53          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.02          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.31          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.64          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.56          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.18          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.95          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.81          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.31          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.27          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.81          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.77          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.15          _              _            false\n  1       1     A_g        2       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.13          _              _            false\n  1       1     A_g        2       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.70          _              _            false\n",
 "/QUESTDB_website/data/abs/furan_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Furan\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         6.18          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.38          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.60          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.70          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.90          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.28          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.28          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.33          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         6.15          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.68          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_CC3_aug-cc-pVQZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.55          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.54          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_FCI_aug-cc-pVTZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.23          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.65          _              _            false\n",
 "/QUESTDB_website/data/abs/ph2_RO-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{PH2}\n# Comment  : \n# code     : \n# method   : RO-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_1        1       2     A_1          _                                       2.78          _              _            false\n",
 "/QUESTDB_website/data/abs/bh2_U-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{BH2}\n# Comment  : \n# code     : \n# method   : U-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A_1         1       2     B_1          _                                       1.20          _              _            false\n",
 "/QUESTDB_website/data/abs/water_FCI_aug-cc-pVTZ.dat": "# Molecule : Water\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow 3s)                      7.62          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3p)                      9.41          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3s)                      9.99          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3s)                      7.25          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3p)                      9.24          _              _            false\n  1       1     A_1        1       3     A_1          (n \\rightarrow 3s)                      9.54          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_CIS(D\u221e)_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : CIS(D\u221e),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.34          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.63          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.97          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.00          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.20          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.50          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         7.09          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.99          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.25          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.77          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.46          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CC3_aug-cc-pVTZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 4p)           6.19          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 4s)           6.24          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 4p)           5.82          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 4s)           5.88          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.57          _              _            false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           8.15          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           9.32          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 4s)           9.95          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.29          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.03          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.95          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.66          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.19          _              _            false\n",
 "/QUESTDB_website/data/abs/f2bo_U-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{F2BO}\n# Comment  : \n# code     : \n# method   : U-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_2        1       2     B_1          _                                       0.71          _              _            false\n  1       2     B_2        1       2     A_1          _                                       2.79          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_CC3_aug-cc-pV5Z.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               3.43          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               3.46          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             4.66          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3s)                      5.40          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.49          _              _            false\n  1       1     A_1        3       1     B_2          (n \\rightarrow 3p)                      5.95          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.31          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               3.35          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.05          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.03          _              _            false\n",
 "/QUESTDB_website/data/abs/beryllium_NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Beryllium\n# Comment  : \n# code     : \n# method   : NEVPT2,aug-cc-pVDZ\n# geom     : \n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     S          1       1     D            (2s,2s \\rightarrow 2p,2p)               7.20          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.74          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.23          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.48          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.44          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.64          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.08          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.36          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Formamide\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.64          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (n \\rightarrow 3s)                      6.79          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             7.63          _              _            true\n  1       1     A^\\prime   4       1     A^\\prime     (n \\rightarrow 3p)                      7.43          _              _            true\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.37          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.82          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_CCSDT_6-31+G(d).dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             4.37          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    5.66          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3p)                    5.98          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow  \\pi^\\star)            6.18          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             3.50          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.74          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.57          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 4s)          5.61          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.93          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 4p)          6.54          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 4p)          6.66          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_FCI_aug-cc-pVTZ_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.09          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.42          _              _            false\n",
 "/QUESTDB_website/data/abs/cf2_FCI_aug-cc-pVDZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.12          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.71          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : MOLPRO\n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     _                                       5.78          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       _                                       6.10          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     _                                       4.45          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       _                                       5.19          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.49          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.72          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.37          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.01          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.78          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.71          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.89          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          7.15          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_FCI_aug-cc-pVDZ_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.07         _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_SC-NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     E_{2g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.56          _              _            false\n  1       1     A_{1g}     2       1     A_{1g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 10.36         _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_FCI_aug-cc-pVTZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.11          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.78          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_CC3_6-31+G(d).dat": "# Molecule : Benzene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.13          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             6.68          _              _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\pi \\rightarrow 3s)                    6.75          _              _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\pi \\rightarrow 3p)                    7.24          _              _            false\n  1       1     A_{1g}     1       1     E_{2u}       (\\pi \\rightarrow 3p)                    7.34          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.18          _              _            false\n  1       1     A_{1g}     1       3     E_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.95          _              _            false\n  1       1     A_{1g}     1       3     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             6.06          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.32          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.32          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.83          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.46          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.65          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.22          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.47          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.08          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.72          _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_CCSDT_6-31+G(d).dat": "# Molecule : Isobutene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    6.77          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow 3p)                    7.17          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.53          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.35          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.91          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.50          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.50          _              _            false\n  1       1     A^\\prime   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.75          _              _            false\n  1       1     A^\\prime   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.34          _              _            false\n  1       1     A^\\prime   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.99          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_CCSD_aug-cc-pVTZ.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.32          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.23          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.15          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.00          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{R}; n \\rightarrow 3s)          6.83          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   7.14          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.96          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        7.26          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{R}; n \\rightarrow 3p)          7.44          _              _            false\n  1       1     A_g        2       1     B_{1u}       (\\mathrm{R}; n \\rightarrow 3p)          7.60          _              _            false\n  1       1     A_g        3       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.20          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.70          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.19          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.40          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.16          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.21          _              _            false\n  1       1     A_g        2       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.35          _              _            false\n",
 "/QUESTDB_website/data/abs/furan_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Furan\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         6.28          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.54          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.83          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.81          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.00          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.39          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.40          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.46          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         6.26          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.78          _              _            false\n",
 "/QUESTDB_website/data/abs/f2bo_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{F2BO}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_2        1       2     B_1          _                                       0.73          _              _            false\n  1       2     B_2        1       2     A_1          _                                       2.80          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_PC-NEVPT2_6-31+G(d)_double.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   8.25          _              _            false\n  1       1     A_g        3       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 9.12          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CCSDTQ_aug-cc-pVTZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.32          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.88          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.29         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            12.97         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.09         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.09         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.42         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.70          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.02          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.87          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.66          _              _            false\n",
 "/QUESTDB_website/data/abs/maleimide_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Maleimide\n# Comment  : \n# code     : \n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.54          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.33          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.82          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.11          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.71          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.31          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.85          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.23          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.08          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.54          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.67          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.93          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.58          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.40          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.09          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.64          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.08          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.39          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.13          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.00          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.46          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.96          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.87          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.47          _              _            false\n  1       1     A_g        2       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.74          _              _            false\n  1       1     A_g        2       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.74          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.96          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.45          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_TBE(Full)_CBS.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : MRCC\n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.12          88.7           0.347        false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.52          98.3           _            false\n",
 "/QUESTDB_website/data/abs/butadiene_FCI_aug-cc-pVDZ_double.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi,\\pi)           6.51          _              _            false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_CC3_aug-cc-pVQZ.dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.73          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.00          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.52          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.03          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.47          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.82          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.03          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.30          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.80          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.50          _              _            false\n",
 "/QUESTDB_website/data/abs/bef_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{BeF}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Sigma^+   1       2     \\Pi          _                                       4.14          _              _            false\n  1       2     \\Sigma^+   2       2     \\Sigma^+     _                                       6.21          _              _            false\n",
 "/QUESTDB_website/data/abs/co+_U-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{CO+}\n# Comment  : \n# code     : \n# method   : U-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Sigma^+   1       2     \\Pi          _                                       3.33          _              _            false\n  1       2     \\Sigma^+   2       2     \\Sigma^+     _                                       5.76          _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.32          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.47          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 4s)          5.47          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.87          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 4p)          6.43          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 4p)          6.48          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.20          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.52          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_CIS(D\u221e)_aug-cc-pVTZ.dat": "# Molecule : Formamide\n# Comment  : \n# code     : MRCC\n# method   : CIS(D\u221e),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.45          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s)           6.26          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.39          _              _            true\n  1       1     A^\\prime   4       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3p)           6.83          _              _            true\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.15          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.88          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_SC-NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.55          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.29          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.03          _              _            false\n",
 "/QUESTDB_website/data/abs/naphthalene_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Naphthalene\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.34          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.92          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.66          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.93          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.01          _              _            true\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{R};\\pi \\rightarrow 3p)         6.06          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{R};\\pi \\rightarrow 3p)         6.09          _              _            false\n  1       1     A_g        2       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.22          _              _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{R};\\pi \\rightarrow 3s)         6.35          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.46          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.54          _              _            false\n  1       1     A_g        3       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.09          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : MRCC\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 4p)           6.05          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 4s)           6.18          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 4p)           5.67          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 4s)           5.81          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.20          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.38          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.55          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.71          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : MRCC\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.36          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.92          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.03          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : CFOUR\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               3.42          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               3.43          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             4.64          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3s)                      5.39          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.48          _              _            false\n  1       1     A_1        3       1     B_2          (n \\rightarrow 3p)                      5.95          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.29          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               3.32          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.03          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.02          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : SCS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.17          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.80          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_CCSD_aug-cc-pVTZ.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.94          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.67          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.49          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.97          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.84          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_CC3_aug-cc-pVQZ.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               3.44          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               3.45          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             4.66          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3s)                      5.39          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.49          _              _            false\n  1       1     A_1        3       1     B_2          (n \\rightarrow 3p)                      5.95          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.31          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               3.34          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.04          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.04          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CCSDT_6-31+G(d).dat": "# Molecule : Ammonia\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.95          _              _            false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           8.95          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           10.19         _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 4s)           11.64         _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.49          _              _            false\n",
 "/QUESTDB_website/data/abs/diazirine_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Diazirine\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.12          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 7.32          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           7.46          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.05          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_CCSDT_6-31+G(d).dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.47          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_TBE(Full)_CBS.dat": "# Molecule : Acetone\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.48          91.1           _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.51          90.5           0.000        false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          7.44          90.9           _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          7.55          90.6           0.004        false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          7.63          91.2           0.029        false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.15          97.8           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.27          98.7           _            false\n",
 "/QUESTDB_website/data/abs/butadiene_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.07          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.21          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.50          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.54          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.67          _              _            false\n  1       1     A_g        2       1     B_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.47          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.27          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.11          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.16          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             7.21          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             7.52          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\pi \\rightarrow \\pi^\\star)             5.50          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             6.46          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             7.14          _              _            false\n",
 "/QUESTDB_website/data/abs/cf2_CCSDTQ_6-31+G(d).dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.18          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.71          _              _            false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.89          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.46          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.53          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.17          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.89          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.13          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_CC3_aug-cc-pVQZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     _                                       5.79          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       _                                       6.06          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     _                                       4.46          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       _                                       5.22          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CIS(D\u221e)_aug-cc-pVTZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : MRCC\n# method   : CIS(D\u221e),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.34          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.92          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.99          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.59          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.23          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.95          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_CC3_aug-cc-pVTZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.99          _              0.001        false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.62          _              _            false\n",
 "/QUESTDB_website/data/abs/octatetraene_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Octatetraene\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.85          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.28          _              _            true\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.65          _              _            true\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.83          _              _            true\n",
 "/QUESTDB_website/data/abs/acetaldehyde_CC3_aug-cc-pVDZ.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime    1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.34          _              _            false\n  1       1     A^\\prime    1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.96          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_CC3_aug-cc-pVQZ_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     6.66          1              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     7.22          1              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.14          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.36          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.64          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.64          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridazine_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.83          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.37          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.29          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.74          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.17          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.37          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.74          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.19          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.11          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.83          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : CFOUR\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\pi \\rightarrow \\pi^\\star)             6.22          _              _            false\n  1       1     A_g        1       1     B_g          (\\pi \\rightarrow 3s)                    6.36          _              _            false\n  1       1     A_g        2       1     A_g          (\\pi \\rightarrow \\pi^\\star)             6.67          _              _            false\n  1       1     A_g        1       1     A_u          (\\pi \\rightarrow 3p)                    6.67          _              _            false\n  1       1     A_g        2       1     A_u          (\\pi \\rightarrow 3p)                    6.83          _              _            false\n  1       1     A_g        2       1     B_u          (\\pi \\rightarrow 3p)                    7.55          _              _            false\n  1       1     A_g        1       3     B_u          (\\pi \\rightarrow \\pi^\\star)             3.36          _              _            false\n  1       1     A_g        1       3     A_g          (\\pi \\rightarrow \\pi^\\star)             5.20          _              _            false\n  1       1     A_g        1       3     B_g          (\\pi \\rightarrow 3s)                    6.31          _              _            false\n",
 "/QUESTDB_website/data/abs/vinyl_RO-CC3_aug-cc-pVTZ.dat": "# Molecule : Vinyl\n# Comment  : \n# code     : \n# method   : RO-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A^{\\prime\\prime}   2       2     A^{\\prime\\prime} _                                       3.30          _              _            false\n  1       2     A^{\\prime\\prime}   3       2     A^{\\prime\\prime} _                                       4.73          _              _            false\n  1       2     A^{\\prime\\prime}   1       2     A^\\prime     _                                       6.24          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_PC-NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.42         _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_CC3_aug-cc-pVDZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.02          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_CCSD_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : MRCC\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.24          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.45          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.02          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.23          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.37          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.47          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.65          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.71          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.27          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.36          _              _            false\n",
 "/QUESTDB_website/data/abs/furan_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Furan\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.12          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.47          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.76          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.64          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.82          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.29          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.41          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.59          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.08          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.61          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_SOS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : SOS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.06          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_FCI_aug-cc-pVDZ_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.40          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_exp.dat": "# Molecule : Ketene\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.7           _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow 3s)                      5.86          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.8           _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5             _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3s)                      5.8           _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.72          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.07          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.15          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.24          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.35          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.51          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.34          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.51          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.11          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.86          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.09          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.11          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienone_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienone\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.27          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.93          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.87          _              _            true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.57          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.99          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.31          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.16          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.33          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.74          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            13.01         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            12.98         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.09         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.40         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.25          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.77          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.36          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.14          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_CC3_6-31+G(d).dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             5.79          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    6.08          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.57          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.67          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    7.06          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.67          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             3.33          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.16          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    6.01          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3p)                    6.51          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_TBE_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : MRCC\n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.13          88.7           0.347        false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.52          98.3           _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.21          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.89          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.47          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.93          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.38          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.71          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_CCSDTQP_6-31+G(d).dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : CCSDTQP,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.08          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Formamide\n# Comment  : \n# code     : MRCC\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.45          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s)           6.26          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.39          _              _            true\n  1       1     A^\\prime   4       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3p)           6.83          _              _            true\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.15          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.88          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_CC3_6-31+G(d)_double.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   6.22          1              _            false\n  1       1     A_g        1       1     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 7.64          0              _            false\n  1       1     A_g        1       3     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 7.35          5              _            false\n",
 "/QUESTDB_website/data/abs/water_CC3(Full)_aug-cc-pV5Z.dat": "# Molecule : Water\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow 3s)                      7.67          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3p)                      9.44          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3s)                      10.00         _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3s)                      7.31          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3p)                      9.28          _              _            false\n  1       1     A_1        1       3     A_1          (n \\rightarrow 3s)                      9.57          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_CC3_aug-cc-pVQZ.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\pi \\rightarrow \\pi^\\star)             6.21          _              _            false\n  1       1     A_g        1       1     B_g          (\\pi \\rightarrow 3s)                    6.35          _              _            false\n  1       1     A_g        2       1     A_g          (\\pi \\rightarrow \\pi^\\star)             6.67          _              _            false\n  1       1     A_g        1       1     A_u          (\\pi \\rightarrow 3p)                    6.66          _              _            false\n  1       1     A_g        2       1     A_u          (\\pi \\rightarrow 3p)                    6.82          _              _            false\n  1       1     A_g        2       1     B_u          (\\pi \\rightarrow 3p)                    7.54          _              _            false\n  1       1     A_g        1       3     B_u          (\\pi \\rightarrow \\pi^\\star)             3.37          _              _            false\n  1       1     A_g        1       3     A_g          (\\pi \\rightarrow \\pi^\\star)             5.21          _              _            false\n  1       1     A_g        1       3     B_g          (\\pi \\rightarrow 3s)                    6.30          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_SC-NEVPT2_6-31+G(d)_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.87         _              _            false\n",
 "/QUESTDB_website/data/abs/furan_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Furan\n# Comment  : \n# code     : CFOUR\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    6.12          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.34          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.58          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.67          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.83          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    7.14          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.22          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.48          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    6.07          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3p)                    6.63          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_CC3_aug-cc-pVQZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.07          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    5.49          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.85          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow \\pi^\\star)             2.82          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.04          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3s)                    5.35          _              _            false\n  1       1     A_1        2       3     A_1          (\\pi \\rightarrow 3p)                    6.81          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.63          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.94          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.08         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            11.29         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.80         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            12.01         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.34          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.47          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.26          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.80          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.78         _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.05          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.81          _              _            false\n",
 "/QUESTDB_website/data/abs/furan_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Furan\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.15          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.45          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.70          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.93          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.35          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.17          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.61          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.20          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.73          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.34          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.63          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.97          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.01          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.20          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.50          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         7.09          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.34          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.91          _              _            false\n  1       1     A_{1g}     1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.99          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.59          _              _            false\n  1       1     A_{1g}     1       3     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.23          _              _            false\n  1       1     A_{1g}     1       3     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.95          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.43          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.43          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.64          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.34          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.49          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          5.93          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.30          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.31          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.02          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.03          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.51          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_TBE(Full)_CBS.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.54          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : MRCC\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.65          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.71          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.27          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.36          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.66          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.61          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.64          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.83          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          7.33          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          7.36          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.17          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.28          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.80          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.36          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.63          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.39          _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_CC3_6-31+G(d).dat": "# Molecule : Thiophene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.79          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.23          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    6.26          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.18          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.32          _              _            false\n  1       1     A_1        2       1     B_1          (\\pi \\rightarrow 3s)                    6.62          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    7.45          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             7.50          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             3.95          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.90          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3p)                    6.00          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    6.20          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.21          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.57          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.32          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.54          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          6.96          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          7.00          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.28          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.91          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.89          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.37          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.83          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_exp.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   _                                       4.81          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     _                                       5.06          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   _                                       2.7           _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     _                                       3.21          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_XMS-CASPT2_aug-cc-pVDZ_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : XMS-CASPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     2       1     A_{1g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 10.64         _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : \n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.82          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_CC3_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.88          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.96          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.16          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.78          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.61          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.76          _              _            false\n  1       1     A_1        2       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.12          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_CASPT2_aug-cc-pVTZ_double.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 7.85          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_CC3_aug-cc-pVQZ.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.84          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             6.41          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.47          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.02          _              _            false\n",
 "/QUESTDB_website/data/abs/water_CC3_d-aug-cc-pVTZ.dat": "# Molecule : Water\n# Comment  : \n# code     : Dalton\n# method   : CC3,d-aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow 3s)                      7.60          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3p)                      9.37          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3s)                      9.89          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3s)                      7.23          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3p)                      9.30          _              _            false\n  1       1     A_1        1       3     A_1          (n \\rightarrow 3s)                      9.52          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_SOS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : SOS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.35          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.94          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 4.02          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.48          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_CC3_aug-cc-pVDZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   _                                       6.52          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     _                                       6.77          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   _                                       4.89          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_CCSDTQ_6-31+G(d).dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : CFOUR\n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               4.36          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               5.65          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.41          _              _            false\n  1       1     A_1        2       1     B_2          _                                       6.68          _              _            false\n  1       1     A_1        3       1     B_2          (n \\rightarrow 3p)                      6.94          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      7.03          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             8.51          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : MRCC\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.75          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.86          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.45          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.45          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_SC-NEVPT2_6-31+G(d)_double.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.82          _              _            false\n  1       1     A_g        1       1     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 6.30          _              _            false\n  1       1     A_g        1       3     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 5.69          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : SCS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.64          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.50          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.23          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.46          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.14          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.41          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.89          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.60          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_CCSDT_6-31+G(d)_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.85          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     6.52          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_CC3(Full)_d-aug-cc-pVQZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             7.09          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             7.42          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\pi \\rightarrow \\pi^\\star)             5.52          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             6.40          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             7.07          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.59          _              _            false\n",
 "/QUESTDB_website/data/abs/diazirine_CC2_aug-cc-pVTZ.dat": "# Molecule : Diazirine\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.2           _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 7.45          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           7.26          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.81          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.55          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.33          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.28          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           6.75          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.14          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           6.16          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.33          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.03          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.73          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3p)           6.02          _              _            false\n  1       1     A_1        2       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.32          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_CC3(Full)_d-aug-cc-pVQZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.88          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow 3s)                      6.01          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    7.17          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.78          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.60          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3s)                      5.82          _              _            false\n  1       1     A_1        2       3     A_2          (\\pi \\rightarrow 3p)                    7.14          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_CC3_aug-cc-pVTZ_double.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi,\\pi)           6.67          75             _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           6.28          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3p)           6.37          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3p)           5.93          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3p)           6.03          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.35          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.44          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.96          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.12          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c5_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C5\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.71          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.76          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_SC-NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi,\\pi)           6.78          _              _            false\n",
 "/QUESTDB_website/data/abs/cf2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 4.89          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.64          _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.39          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.07          _              _            false\n",
 "/QUESTDB_website/data/abs/imidazole_TBE(Full)_CBS.dat": "# Molecule : Imidazole\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.73          93.0           0.001        false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.41          89.6           0.124        false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.53          93.6           0.028        false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R}; \\pi \\rightarrow 3p)        6.82          88.9           0.035        true\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.74          98.3           _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.69          97.6           _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.75          97.9           _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.31          97.3           _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (n \\rightarrow \\pi^\\star)               4.19          _              _            false\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               4.98          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.05          _              _            false\n  1       1     A_g        1       1     B_{2g}       (n \\rightarrow \\pi^\\star)               5.77          _              _            false\n  1       1     A_g        2       1     A_g          (n \\rightarrow 3s)                      6.53          _              _            false\n  1       1     A_g        1       1     B_{1g}       (n \\rightarrow \\pi^\\star)               6.75          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             6.93          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\pi \\rightarrow 3s)                    7.14          _              _            false\n  1       1     A_g        2       1     B_{2u}       (n \\rightarrow 3p)                      7.13          _              _            false\n  1       1     A_g        2       1     B_{1u}       (n \\rightarrow 3p)                      7.37          _              _            false\n  1       1     A_g        3       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             8.03          _              _            false\n  1       1     A_g        1       3     B_{3u}       (n \\rightarrow \\pi^\\star)               3.60          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.36          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             4.45          _              _            false\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               4.93          _              _            false\n  1       1     A_g        1       3     B_{2g}       (n \\rightarrow \\pi^\\star)               5.11          _              _            false\n  1       1     A_g        2       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             5.31          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.20          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.69          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c5_CC3_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C5\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.66          85.8           1.182        false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.48          97.7           _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_TBE_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.14          90.1           _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.54          93.8           0.016        false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.90          91.4           0.210        false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.79          97.7           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.05          98.6           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.35          98.0           _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.82          98.5           _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.08          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\pi \\rightarrow 3s)                    7.30          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             7.93          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\pi \\rightarrow 3p)                    7.99          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.54          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\pi \\rightarrow 3s)                    7.18          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\pi \\rightarrow 3p)                    7.94          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.68          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.75          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.35          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.40          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_CC2_aug-cc-pVTZ.dat": "# Molecule : Propynal\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.96          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.71          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.53          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.71          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : MRCC\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.17          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.69          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.84          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.28          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.05          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.80          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_XMS-CASPT2_aug-cc-pVQZ_double.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : XMS-CASPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.07          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacrolein_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Thioacrolein\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.22          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.96          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CCSDT_6-31+G(d).dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.84          _              _            false\n",
 "/QUESTDB_website/data/abs/beryllium_CC3_aug-cc-pVDZ_double.dat": "# Molecule : Beryllium\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : \n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     S          1       1     D            (2s,2s \\rightarrow 2p,2p)               7.23          29             _            false\n",
 "/QUESTDB_website/data/abs/hpo_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.39          _              _            false\n",
 "/QUESTDB_website/data/abs/benzoquinone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Benzoquinone\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.19          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.31          _              _            false\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.08          _              _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.82          _              _            true\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.44          _              _            true\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.64          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.08          _              _            true\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.92          _              _            true\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.74          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.93          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.06          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.37          _              _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.74          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_CC3(Full)_d-aug-cc-pVQZ.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CC3(Full),d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   _                                       5.34          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     _                                       5.60          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   _                                       4.09          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     _                                       4.80          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.12          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.48          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CC3_6-31+G(d).dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.46          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.10         _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.47         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            13.29         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.44         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.51         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.85         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.68          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.10          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.99          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.80          _              _            false\n",
 "/QUESTDB_website/data/abs/imidazole_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Imidazole\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.61          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.31          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.39          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.47          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.57          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.49          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.26          _              _            false\n",
 "/QUESTDB_website/data/abs/water_CCSDT_6-31+G(d).dat": "# Molecule : Water\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; n \\rightarrow 3s)          8.32          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          10.73         _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          10.83         _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.70          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; n \\rightarrow 3p)          10.33         _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R}; n \\rightarrow 3s)          10.15         _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.37          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.91          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.26          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.22          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{R}; n \\rightarrow 3s)          6.20          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   7.31          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.13          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        7.31          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{R}; n \\rightarrow 3p)          7.30          _              _            false\n  1       1     A_g        2       1     B_{1u}       (\\mathrm{R}; n \\rightarrow 3p)          7.19          _              _            false\n  1       1     A_g        3       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.85          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.84          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.76          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.67          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.93          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.41          _              _            false\n  1       1     A_g        2       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.59          _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.47          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.01          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Propynal\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.82          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.51          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.49          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.43          _              _            false\n",
 "/QUESTDB_website/data/abs/water_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Water\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.65          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          9.43          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          10.00         _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.28          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; n \\rightarrow 3p)          9.26          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.56          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.00          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_FCI_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               3.98          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      7.23          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3p)                      8.13          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      8.23          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 3p)                      8.67          _              _            false\n  1       1     A_1        1       1     B_1          (\\sigma \\rightarrow \\pi^\\star)          9.22          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             9.43          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.58          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.06          _              _            false\n  1       1     A_1        1       3     B_2          (n \\rightarrow 3s)                      7.06          _              _            false\n  1       1     A_1        2       3     B_2          (n \\rightarrow 3p)                      7.94          _              _            false\n  1       1     A_1        2       3     A_1          (n \\rightarrow 3p)                      8.10          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3d)                      8.42          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CC3(Full)_aug-cc-pV5Z.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V}; n \\rightarrow \\pi^\\star)   9.32          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.86          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 10.27         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R}; n \\rightarrow \\sigma^\\star) 12.77         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.08         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R}; n \\rightarrow \\sigma^\\star) 13.06         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.34         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.71          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V}; n \\rightarrow \\pi^\\star)   8.04          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.87          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.67          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_CC3_aug-cc-pVDZ.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    5.15          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    5.89          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    5.94          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.28          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.35          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    7.00          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.56          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    5.12          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.49          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3p)                    5.82          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_CC3_d-aug-cc-pVQZ.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : CFOUR\n# method   : CC3,d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.84          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             6.41          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.47          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.02          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.67          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.95          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.31          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.46          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.56          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.73          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.38          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.52          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          5.97          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_FCI_aug-cc-pVDZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             7.20          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             7.51          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\pi \\rightarrow \\pi^\\star)             5.50          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             6.46          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             7.14          _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : MRCC\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime    1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.29          _              _            false\n  1       1     A^\\prime    1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.89          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridazine_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : MOLPRO\n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               3.80          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               4.40          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.58          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow \\pi^\\star)               5.88          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.21          _              _            false\n  1       1     A_1        2       1     B_1          (n \\rightarrow \\pi^\\star)               6.64          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow \\pi^\\star)             7.10          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               3.13          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               4.14          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.49          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.94          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_TBE(Full)_CBS.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.81          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.10          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.49          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.20          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.79          _              _            false\n",
 "/QUESTDB_website/data/abs/allyl_TBE_aug-cc-pVTZ.dat": "# Molecule : Allyl\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A_2        1       2     B_1          _                                       3.39          _              _            false\n  1       2     A_2        1       2     A_1          _                                       4.99          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : \n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               2.55          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 4s)                      5.72          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.24          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 4p)                      6.62          _              _            false\n  1       1     A_1        3       1     A_1          (n \\rightarrow 4p)                      6.52          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               2.32          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             3.48          _              _            false\n",
 "/QUESTDB_website/data/abs/diazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Diazirine\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.33          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 7.58          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           7.72          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.22          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.76          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.25          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.52          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           6.99          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_TBE_CBS_double.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : TBE,CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     double                                  4.74          2              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_CC3_aug-cc-pVDZ.dat": "# Molecule : Pyridine\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               5.01          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             5.21          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               5.41          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.64          _              _            false\n  1       1     A_1        3       1     A_1          (n \\rightarrow 3s)                      6.71          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3s)                    6.74          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow \\pi^\\star)             7.40          _              _            false\n  1       1     A_1        2       1     B_1          (\\pi \\rightarrow 3p)                    7.32          _              _            false\n  1       1     A_1        4       1     A_1          (\\pi \\rightarrow \\pi^\\star)             7.34          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.34          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               4.47          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.83          _              _            false\n  1       1     A_1        2       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.08          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               5.37          _              _            false\n  1       1     A_1        2       3     B_2          (\\pi \\rightarrow \\pi^\\star)             6.30          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.33          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.38          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.69          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.92          _              _            false\n  1       1     A_g        2       1     B_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.76          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.17          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.03          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.42          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_FCI_aug-cc-pVQZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.88          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_TBE(Full)_CBS.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : MRCC\n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.33          92.6           _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.91          97.2           _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.31         95.9           0.000        false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R}; n \\rightarrow \\sigma^\\star) 12.30         92.2           _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            12.73         82.9           0.458        false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R}; n \\rightarrow \\sigma^\\star) 12.95         92.8           0.296        false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.27         87.4           0.000        false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.74          99.3           _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.03          98.4           _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.88          99.3           _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.65          98.8           _            false\n",
 "/QUESTDB_website/data/abs/isobutene_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.46          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.00          _              _            false\n",
 "/QUESTDB_website/data/abs/water_CC3(Full)_d-aug-cc-pV5Z.dat": "# Molecule : Water\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow 3s)                      7.67          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3p)                      9.44          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3s)                      9.95          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3s)                      7.31          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3p)                      9.28          _              _            false\n  1       1     A_1        1       3     A_1          (n \\rightarrow 3s)                      9.57          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_CC3_aug-cc-pVDZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.69          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.40          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.20          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.34          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.74          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_PC-NEVPT2_6-31+G(d)_double.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 7.91          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.97          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Acetone\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.52          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.64          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           7.47          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.52          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.61          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.23          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.34          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.67          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.61          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.27          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.59          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_CCSD_aug-cc-pVTZ.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.58          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.48          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.00          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.18          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.57          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.69          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_FCI_aug-cc-pVTZ_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.33          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_CC3_6-31+G(d).dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.05          _              _            false\n",
 "/QUESTDB_website/data/abs/imidazole_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Imidazole\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.68          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.40          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.45          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.70          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.64          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.71          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.29          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             7.09          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             7.42          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\pi \\rightarrow \\pi^\\star)             5.52          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             6.40          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             7.07          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Propynal\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.16          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.93          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.81          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.66          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.68          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.24         _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.40         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            11.32         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.81         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            12.03         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.58          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.52          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.60          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.20         _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.86         _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_SC-NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.33         _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_CC3_aug-cc-pVDZ.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             5.59          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    5.70          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.34          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.39          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    6.55          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.59          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             3.32          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.14          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    5.65          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3p)                    6.30          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CC3_aug-cc-pVDZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (n \\rightarrow \\pi^\\star)               8.57          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\pi \\rightarrow \\pi^\\star)             10.12         _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\pi \\rightarrow \\pi^\\star)             10.23         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.92         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.48         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.74         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (n \\rightarrow \\pi^\\star)               6.31          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\pi \\rightarrow \\pi^\\star)             8.45          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\pi \\rightarrow \\pi^\\star)             9.37          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\pi \\rightarrow \\pi^\\star)             9.89          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.39         _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_CCSDT_aug-cc-pVQZ_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.80          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : MRCC\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.94          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.36          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.57          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Acetone\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.64          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.37          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           7.29          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.33          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.43          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.31          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.46          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [QM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.38          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.34          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.04          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.04          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.62          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.64          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.00          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.81          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.33          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.70          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.01          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_CCSDT_6-31+G(d).dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.19          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.48          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.45          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.39          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c3_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C3\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.93          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.52          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_CCSDT_6-31+G(d).dat": "# Molecule : Acetone\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               4.52          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.64          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 3p)                      7.83          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      7.81          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3p)                      7.87          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               4.19          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.30          _              _            false\n",
 "/QUESTDB_website/data/abs/ch_U-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{CH}\n# Comment  : \n# code     : \n# method   : U-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Pi        1       2     \\Delta       _                                       3.11          _              _            false\n  1       2     \\Pi        1       2     \\Sigma^-     _                                       3.61          _              _            false\n  1       2     \\Pi        1       2     \\Sigma^+     _                                       4.45          _              _            false\n",
 "/QUESTDB_website/data/abs/naphthalene_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Naphthalene\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.49          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.15          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.67          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.19          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.32          _              _            true\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{R};\\pi \\rightarrow 3p)         6.07          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{R};\\pi \\rightarrow 3p)         6.04          _              _            false\n  1       1     A_g        2       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.30          _              _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{R};\\pi \\rightarrow 3s)         6.42          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.30          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.06          _              _            false\n  1       1     A_g        3       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.35          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.54          _              _            true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.45          _              _            true\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.75          _              _            true\n  1       1     A_g        2       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.88          _              _            true\n  1       1     A_g        2       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.08          _              _            true\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.79          _              _            true\n  1       1     A_g        2       3     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.58          _              _            true\n  1       1     A_g        2       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.66          _              _            true\n",
 "/QUESTDB_website/data/abs/hpo_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.46          _              _            false\n",
 "/QUESTDB_website/data/abs/water_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : Water\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow 3s)                      7.53          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3p)                      9.31          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3s)                      9.94          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3s)                      7.14          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3p)                      9.14          _              _            false\n  1       1     A_1        1       3     A_1          (n \\rightarrow 3s)                      9.48          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.28          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.55          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.90          _              _            false\n",
 "/QUESTDB_website/data/abs/cno_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{CNO}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Sigma^+   2       2     \\Sigma^+     _                                       1.61          _              _            false\n  1       2     \\Sigma^+   1       2     \\Pi          _                                       5.49          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.10          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.04          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.83          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.71          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{R}; n \\rightarrow 3s)          6.86          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   7.33          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{R}; n \\rightarrow 3p)          7.49          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.48          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.93          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.32          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.97          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.89          _              _            false\n  1       1     A_g        2       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.21          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_XMS-CASPT2_aug-cc-pVDZ_double.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : XMS-CASPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.12          _              _            false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.80          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.08          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.46          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.06          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.46          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.82          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_CCSDT_6-31+G(d).dat": "# Molecule : Acrolein\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.80          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             6.86          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               6.89          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (n \\rightarrow 3s)                      7.23          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.53          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             3.95          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             6.23          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               6.74          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Propynal\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.82          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             5.62          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.48          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             4.44          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_SCS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : SCS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.62          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c5_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C5\n# Comment  : \n# code     : \n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.54          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.54          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_SOS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : SOS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.24          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.80          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s/3p)        6.17          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    0.94          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.39          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_CC3_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.13          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.48          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_TBE(Full)_CBS.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.13          90.1           _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.59          93.8           0.016        false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.89          91.4           0.210        false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.80          97.7           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.05          98.6           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.40          98.0           _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.72          98.5           _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.04          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R})                            6.48          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.28          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.58          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CCSD_aug-cc-pVTZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : MRCC\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 4p)           6.25          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 4s)           6.29          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 4p)           5.85          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 4s)           5.92          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 4p)           6.35          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 4s)           6.30          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 4p)           5.91          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 4s)           5.94          _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_exp.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime    1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.27          _              _            false\n  1       1     A^\\prime    1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.97          _              _            false\n",
 "/QUESTDB_website/data/abs/hoc_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{HOC}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A^\\prime   1       2     A^{\\prime\\prime} _                                       0.92          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_CC3_6-31+G(d).dat": "# Molecule : Formamide\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.83          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.55          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.92          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            1.87          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.40          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.56          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.56          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.09          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.26          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 4p)           6.05          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 4s)           6.18          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 4p)           5.67          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 4s)           5.81          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.44          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.28          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.93          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.10          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{R};n \\rightarrow 3s)           6.89          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.09          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.81          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.27          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{R};n \\rightarrow 3p)           7.47          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.93          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.53          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.52          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.28          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.43          _              _            false\n  1       1     A_g        2       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.43          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridazine_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.79          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.27          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.44          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.81          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.69          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.35          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.85          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.19          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.02          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.60          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.06          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_CC3_6-31+G(d).dat": "# Molecule : Methanimine\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.34          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.72          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_XMS-CASPT2_6-31+G(d)_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : XMS-CASPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.50         _              _            false\n",
 "/QUESTDB_website/data/abs/naphthalene_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Naphthalene\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.38          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.92          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.69          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.02          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.05          _              _            true\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{R};\\pi \\rightarrow 3p)         6.11          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{R};\\pi \\rightarrow 3p)         6.08          _              _            false\n  1       1     A_g        2       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.21          _              _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{R};\\pi \\rightarrow 3s)         6.34          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.45          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.60          _              _            false\n  1       1     A_g        3       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.26          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.35          _              _            true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.32          _              _            true\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.62          _              _            true\n  1       1     A_g        2       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.82          _              _            true\n  1       1     A_g        2       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.09          _              _            true\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.62          _              _            true\n  1       1     A_g        2       3     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.33          _              _            true\n  1       1     A_g        2       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.65          _              _            true\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : MRCC\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.55          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.90          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.07         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            11.14         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.75         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            12.00         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.32          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.37          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.21          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.83          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.73         _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.57          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CCSDTQ_6-31+G(d).dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.84          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.07          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.21          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.50          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.54          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.67          _              _            false\n  1       1     A_g        2       1     B_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.47          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.27          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.11          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.16          _              _            false\n",
 "/QUESTDB_website/data/abs/benzoquinone_CC2_aug-cc-pVTZ.dat": "# Molecule : Benzoquinone\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.82          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.98          _              _            false\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.63          _              _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.57          _              _            true\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.60          _              _            true\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.76          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.32          _              _            true\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.37          _              _            true\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.24          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.51          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.68          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.30          _              _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.55          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.36          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.91          _              _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.80          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R};\\pi \\rightarrow 3p)         5.94          _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_CC3_6-31+G(d).dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime    1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.39          _              _            false\n  1       1     A^\\prime    1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.04          _              _            false\n",
 "/QUESTDB_website/data/abs/octatetraene_CC2_aug-cc-pVTZ.dat": "# Molecule : Octatetraene\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.57          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.80          _              _            true\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.47          _              _            true\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.83          _              _            true\n",
 "/QUESTDB_website/data/abs/acrolein_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : CFOUR\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.74          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             6.65          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               6.76          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (n \\rightarrow 3s)                      7.11          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.46          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             3.94          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             6.19          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               6.62          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CCSDTQ_aug-cc-pVTZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.84          _              _            false\n",
 "/QUESTDB_website/data/abs/maleimide_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Maleimide\n# Comment  : \n# code     : \n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.07          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.76          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.88          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.20          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.80          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.46          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.79          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.20          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.50          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   _                                       6.52          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     _                                       6.78          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   _                                       4.89          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_CC3_aug-cc-pV5Z.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.55          _              _            false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [QM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.77          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.10          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.77          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.14          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.41          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.05          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CC3_aug-cc-pVQZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (n \\rightarrow \\pi^\\star)               9.33          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             9.87          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             10.27         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            12.90         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.17         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.09         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.42         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\pi \\rightarrow \\pi^\\star)             7.71          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (n \\rightarrow \\pi^\\star)               8.04          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             8.87          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             9.68          _              _            false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.74          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.00          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.52          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_PC-NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.60          _              _            false\n  1       1     A_g        1       1     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 6.14          _              _            false\n  1       1     A_g        1       3     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 5.51          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.35          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.98          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [QM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.44          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.29          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.06          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.29          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.96          _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.32          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_CC3(SC)_aug-cc-pVQZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : CC3(SC),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.91          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.52          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_CCSDTQ_aug-cc-pVDZ_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.24          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.52          _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_TBE(Full)_CBS.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.31          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.07          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.12          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.31          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.14          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.63          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.76          _              _            false\n  1       1     A_g        2       1     B_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.48          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.46          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.27          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.27          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.59          90.3           _            false\n",
 "/QUESTDB_website/data/abs/triazine_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Triazine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.83          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.99          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.95          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.78          _              _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.78          _              _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          7.68          _              _            false\n  1       1     A_1^\\prime 2       1     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.88          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.35          _              _            false\n  1       1     A_1^\\prime 1       3     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.59          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.53          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.97          _              _            false\n  1       1     A_1^\\prime 1       3     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.32          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.27          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridazine_CC3_6-31+G(d).dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               3.95          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               4.49          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.36          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow \\pi^\\star)               5.88          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.26          _              _            false\n  1       1     A_1        2       1     B_1          (n \\rightarrow \\pi^\\star)               6.51          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.96          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               3.27          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               4.19          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.39          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.93          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_CC3_6-31+G(d).dat": "# Molecule : Acetone\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               4.55          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.65          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 3p)                      7.83          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      7.81          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3p)                      7.87          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               4.21          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.32          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.30          _              _            false\n",
 "/QUESTDB_website/data/abs/cf2_CCSDT_6-31+G(d).dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.18          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.70          _              _            false\n",
 "/QUESTDB_website/data/abs/octatetraene_CC3_aug-cc-pVTZ.dat": "# Molecule : Octatetraene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.75          91.5           _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.04          63.7           _            true\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.36          97.5           _            true\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.73          98.0           _            true\n",
 "/QUESTDB_website/data/abs/thioacetone_exp.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : experimental\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               2.33          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 4s)                      5.49          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.64          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 4p)                      6.40          _              _            false\n  1       1     A_1        3       1     A_1          (n \\rightarrow 4p)                      6.52          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               2.14          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : MRCC\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.91          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_CC3_aug-cc-pVQZ.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               2.56          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 4s)                      5.60          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.88          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 4p)                      6.52          _              _            false\n  1       1     A_1        3       1     A_1          (n \\rightarrow 4p)                      6.64          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               2.35          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             3.47          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_CC3_6-31+G(d).dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    5.25          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    5.99          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.27          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.33          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.43          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    7.20          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.59          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    5.22          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.54          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3p)                    5.91          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_CASPT2_aug-cc-pVDZ_double.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 7.93          _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.67          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.93          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.09          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.13          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.24          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.47          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.26          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.88          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.71          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.96          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.04          _              _            false\n",
 "/QUESTDB_website/data/abs/imidazole_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Imidazole\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.68          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.40          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.45          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.70          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.64          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.71          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.29          _              _            false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.63          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.95          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.46          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.89          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.38          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.72          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.12          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R})                            6.45          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.36          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.64          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : MRCC\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.00          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.55          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_PC-NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 7.85          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_CC3_aug-cc-pVQZ_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     3.03          0              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     3.24          0              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_CC2_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.26          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.59          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.76          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.60          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.29          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.15          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.04          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.17          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.77          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{R}; n \\rightarrow 3s)          6.63          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.83          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.77          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        7.22          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.57          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.31          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.34          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.00          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.77          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.07          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.38          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.63          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.72          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.06          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.24          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.06          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.72          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.51          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.30         _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.69         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            13.16         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.47         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.23         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.98         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.49          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.40          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.37          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.26         _              _            false\n",
 "/QUESTDB_website/data/abs/furan_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Furan\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    6.00          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.39          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.58          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.56          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.74          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    7.40          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.23          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.49          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    5.94          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3p)                    6.51          _              _            false\n",
 "/QUESTDB_website/data/abs/ch_RO-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{CH}\n# Comment  : \n# code     : \n# method   : RO-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Pi        1       2     \\Delta       _                                       3.17          _              _            false\n  1       2     \\Pi        1       2     \\Sigma^-     _                                       4.39          _              _            false\n  1       2     \\Pi        1       2     \\Sigma^+     _                                       5.36          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c3_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C3\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.82          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CC3_aug-cc-pVDZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               4.00          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      7.05          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3p)                      8.02          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      8.08          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 3p)                      8.65          _              _            false\n  1       1     A_1        1       1     B_1          (\\sigma \\rightarrow \\pi^\\star)          9.31          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             9.59          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.58          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.09          _              _            false\n  1       1     A_1        1       3     B_2          (n \\rightarrow 3s)                      6.91          _              _            false\n  1       1     A_1        2       3     B_2          (n \\rightarrow 3p)                      7.84          _              _            false\n  1       1     A_1        2       3     A_1          (n \\rightarrow 3p)                      7.97          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3d)                      8.48          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_MS-CASPT2_aug-cc-pVQZ_double.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : MS-CASPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.30          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c5_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C5\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.73          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.71          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.36          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.81          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.15          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.91          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.26          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.90          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.02          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.11          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.63          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.88          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.45          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.87          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridazine_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.89          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.47          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.32          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.82          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.31          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.47          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.77          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CC3_aug-cc-pVDZ.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               2.90          _              _            false\n  1       1     A_g        1       1     B_g          (n \\rightarrow \\pi^\\star)               4.30          _              _            false\n  1       1     A_g        2       1     A_g          (n,n  \\rightarrow \\pi^\\star,\\pi^\\star)  6.70          _              _            true\n  1       1     A_g        2       1     B_g          (n \\rightarrow \\pi^\\star)               6.59          _              _            false\n  1       1     A_g        1       1     B_u          (n \\rightarrow 3p)                      7.55          _              _            false\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               2.49          _              _            false\n  1       1     A_g        1       3     B_g          (n \\rightarrow \\pi^\\star)               3.91          _              _            false\n  1       1     A_g        1       3     B_u          (\\pi \\rightarrow \\pi^\\star)             5.20          _              _            false\n  1       1     A_g        1       3     A_g          (\\pi \\rightarrow \\pi^\\star)             6.34          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         5.49          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.10          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.18          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.41          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.41          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.93          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.67          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         5.47          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.50          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.07          _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         6.58          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         7.11          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.63          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CC3_aug-cc-pVQZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (n \\rightarrow \\pi^\\star)               8.47          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\pi \\rightarrow \\pi^\\star)             9.99          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\pi \\rightarrow \\pi^\\star)             10.12         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.90         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.46         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.63         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (n \\rightarrow \\pi^\\star)               6.30          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\pi \\rightarrow \\pi^\\star)             8.48          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\pi \\rightarrow \\pi^\\star)             9.31          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\pi \\rightarrow \\pi^\\star)             9.82          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.44         _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_CC3_aug-cc-pVDZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.08          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_CCSDT_6-31+G(d).dat": "# Molecule : Butadiene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\pi \\rightarrow \\pi^\\star)             6.43          _              _            false\n  1       1     A_g        1       1     B_g          (\\pi \\rightarrow 3s)                    6.55          _              _            false\n  1       1     A_g        2       1     A_g          (\\pi \\rightarrow \\pi^\\star)             6.63          _              _            false\n  1       1     A_g        1       1     A_u          (\\pi \\rightarrow 3p)                    6.89          _              _            false\n  1       1     A_g        2       1     A_u          (\\pi \\rightarrow 3p)                    6.95          _              _            false\n  1       1     A_g        2       1     B_u          (\\pi \\rightarrow 3p)                    8.00          _              _            false\n  1       1     A_g        1       3     B_u          (\\pi \\rightarrow \\pi^\\star)             3.36          _              _            false\n  1       1     A_g        1       3     A_g          (\\pi \\rightarrow \\pi^\\star)             5.22          _              _            false\n  1       1     A_g        1       3     B_g          (\\pi \\rightarrow 3s)                    6.47          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.37          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.92          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.04          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.53          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.25          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.99          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_CC3_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.80          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.08          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.45          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.22          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.97          _              0.003        false\n",
 "/QUESTDB_website/data/abs/h2bo_U-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{H2BO}\n# Comment  : \n# code     : \n# method   : U-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_2        1       2     B_1          _                                       2.17          _              _            false\n  1       2     B_2        1       2     A_1          _                                       3.52          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_FCI_aug-cc-pVDZ.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\sigma \\rightarrow \\pi^\\star)          6.7           _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.82          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.35          _              _            false\n  1       1     A_1        1       3     B_1          (\\sigma \\rightarrow \\pi^\\star)          6.43          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_CASPT2_aug-cc-pVQZ_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.21          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.50          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_CC3_aug-cc-pVDZ.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               2.09          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.83          _              _            false\n",
 "/QUESTDB_website/data/abs/water_CC3_t-aug-cc-pVQZ.dat": "# Molecule : Water\n# Comment  : \n# code     : Dalton\n# method   : CC3,t-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow 3s)                      7.64          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3p)                      9.42          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3s)                      9.93          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3s)                      7.28          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3p)                      9.26          _              _            false\n  1       1     A_1        1       3     A_1          (n \\rightarrow 3s)                      9.56          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.46          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.93          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.04          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           5.47          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.35          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           6.10          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.39          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.83          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.36          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.10          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_CCSDT_aug-cc-pVDZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.59          _              _            false\n",
 "/QUESTDB_website/data/abs/maleimide_CC2_aug-cc-pVTZ.dat": "# Molecule : Maleimide\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.70          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.52          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.87          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.22          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.71          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.45          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.85          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.32          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.27          _              _            false\n",
 "/QUESTDB_website/data/abs/hoc_U-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{HOC}\n# Comment  : \n# code     : \n# method   : U-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A^\\prime   1       2     A^{\\prime\\prime} _                                       0.93          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.14          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.83          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CIS(D\u221e)_aug-cc-pVTZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : MRCC\n# method   : CIS(D\u221e),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.97          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.37          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.73          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.52          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.93          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.22          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.25          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.83          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.05          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.58          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.14          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_CC3_aug-cc-pVQZ.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   _                                       5.33          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     _                                       5.60          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   _                                       4.10          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     _                                       4.80          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_FCI_6-31+G(d).dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               3.45          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               3.44          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             4.59          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.29          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.03          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.60          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.84          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.20          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.14          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.84          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.79          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.50          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.22          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.05          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.64          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.44          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.71          _              _            true\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.69          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.37          _              _            false\n  1       1     A_g        2       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.40          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.64          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_CASPT2_aug-cc-pVQZ_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     E_{2g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.34          _              _            false\n  1       1     A_{1g}     2       1     A_{1g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 10.27         _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.92          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.32          _              _            false\n  1       1     A_g        2       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.75          _              _            false\n  1       1     A_g        1       1     B_u          (\\mathrm{R}; n \\rightarrow 3p)          7.71          _              _            false\n",
 "/QUESTDB_website/data/abs/triazine_CC3_6-31+G(d).dat": "# Molecule : Triazine\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.85          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.84          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.89          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\pi \\rightarrow \\pi^\\star)             5.84          _              _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\pi \\rightarrow \\pi^\\star)             7.45          _              _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (n \\rightarrow 3s)                      7.44          _              _            false\n  1       1     A_1^\\prime 2       1     E^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               7.89          _              _            false\n  1       1     A_1^\\prime 2       1     E^\\prime     (\\pi \\rightarrow \\pi^\\star)             8.12          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.40          _              _            false\n  1       1     A_1^\\prime 1       3     E^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.59          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.87          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^\\prime   (\\pi \\rightarrow \\pi^\\star)             4.88          _              _            false\n  1       1     A_1^\\prime 1       3     E^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.70          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^\\prime   (\\pi \\rightarrow \\pi^\\star)             6.85          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.98          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.21          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           8.11          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.21          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           8.66          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 9.20          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.51          _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_CC2_aug-cc-pVTZ.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.75          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.07          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.07          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.15          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.35          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.48          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.26          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.48          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.12          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.91          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.00          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.03          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_CC3_aug-cc-pVTZ.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.55          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 4s)          5.55          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.90          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 4p)          6.51          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 4p)          6.61          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.34          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.46          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.37          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.70          _              _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.88          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R};\\pi \\rightarrow 3p)         6.05          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.93          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.44          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_CC3_6-31+G(d).dat": "# Molecule : Pyridine\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               5.12          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             5.23          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               5.55          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.84          _              _            false\n  1       1     A_1        3       1     A_1          (n \\rightarrow 3s)                      6.92          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3s)                    6.98          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow \\pi^\\star)             7.50          _              _            false\n  1       1     A_1        2       1     B_1          (\\pi \\rightarrow 3p)                    7.54          _              _            false\n  1       1     A_1        4       1     A_1          (\\pi \\rightarrow \\pi^\\star)             7.56          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.33          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               4.57          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.92          _              _            false\n  1       1     A_1        2       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.14          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               5.51          _              _            false\n  1       1     A_1        2       3     B_2          (\\pi \\rightarrow \\pi^\\star)             6.46          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_CCSDT_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.85          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.15          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.45          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.21          _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.38          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.08          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.05          93.1           _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.17          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.88          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.17          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.87          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{R}; n \\rightarrow 3s)          6.30          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.67          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.88          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        7.27          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.62          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.57          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.59          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.84          _              _            false\n",
 "/QUESTDB_website/data/abs/beryllium_CASPT2_aug-cc-pVQZ_double.dat": "# Molecule : Beryllium\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVQZ\n# geom     : \n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     S          1       1     D            (2s,2s \\rightarrow 2p,2p)               7.10          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.92          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.99          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.19          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_FCI_aug-cc-pVTZ.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\sigma \\rightarrow \\pi^\\star)          6.6           _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.7           _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.38          _              _            false\n  1       1     A_1        1       3     B_1          (\\sigma \\rightarrow \\pi^\\star)          6.45          _              _            false\n",
 "/QUESTDB_website/data/abs/aza-naphthalene_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Aza-naphthalene\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.21          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.32          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.41          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.65          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.02          _              _            false\n  1       1     A_g        2       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.40          _              _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.45          _              _            false\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.70          _              _            true\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.90          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.06          _              _            false\n  1       1     A_g        3       1     A_g          (\\mathrm{R};n \\rightarrow 3s)           6.61          _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_FCI_aug-cc-pVDZ.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime    1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.34          _              _            false\n  1       1     A^\\prime    1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.98          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_CC3_aug-cc-pVDZ_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     6.65          0              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     7.20          1              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_CCSD_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.15          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.48          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.45          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.41          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.12          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_SCS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : SCS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.75          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_CC3(SC)_aug-cc-pVQZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : CC3(SC),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.83          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.11          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.46          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.21          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.07          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R})                            6.25          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.28          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.71          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.86          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.32          _              _            false\n  1       1     A_g        1       1     B_u          (\\mathrm{R}; n \\rightarrow 3p)          7.94          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.44          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.88          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.92          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.13          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.59          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.84          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.97          _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            11.39         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.93         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            12.13         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.54          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.30          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.26          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.81          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.99         _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_PC-NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.08          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.39          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.59          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.07          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.20          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           5.52          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.56          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           6.16          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.50          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.97          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.44          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.18          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_CC2_aug-cc-pVTZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.14          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.70          _              _            false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.52          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.70          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.50          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.77          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.04          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.47          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_CC3_6-31+G(d).dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.26          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.88          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.82          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.98          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.38          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.67          _              _            false\n",
 "/QUESTDB_website/data/abs/benzoquinone_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Benzoquinone\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.94          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.10          _              _            false\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.64          _              _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.62          _              _            true\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.00          _              _            true\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.25          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.65          _              _            true\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.50          _              _            true\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.32          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_CCSDT_aug-cc-pVDZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.02          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridazine_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.86          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.60          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.18          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.74          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.67          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.62          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.12          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.22          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.46          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.74          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.23          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.48          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.44          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.64          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.08          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.36          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.20          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.06          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.06          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.80          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{R}; n \\rightarrow 3s)          6.74          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.87          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.88          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        7.21          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{R}; n \\rightarrow 3p)          7.35          _              _            false\n  1       1     A_g        2       1     B_{1u}       (\\mathrm{R}; n \\rightarrow 3p)          7.52          _              _            false\n  1       1     A_g        3       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.02          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.34          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R};\\pi \\rightarrow 3s)         6.49          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.34          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3p)         6.83          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3p)         6.97          _              _            false\n  1       1     A_g        2       1     B_u          (\\mathrm{R};\\pi \\rightarrow 3p)         7.84          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.53          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.22          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{R};\\pi \\rightarrow 3s)         6.47          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (n \\rightarrow \\pi^\\star)               8.57          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\pi \\rightarrow \\pi^\\star)             10.06         _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\pi \\rightarrow \\pi^\\star)             10.18         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.94         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.52         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.77         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (n \\rightarrow \\pi^\\star)               6.30          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\pi \\rightarrow \\pi^\\star)             8.43          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\pi \\rightarrow \\pi^\\star)             9.33          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.42         _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.17          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.92          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.48          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.91          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.18          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.71          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.07          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_SOS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : SOS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.79          _              _            false\n",
 "/QUESTDB_website/data/abs/no_U-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{NO}\n# Comment  : \n# code     : \n# method   : U-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Pi        1       2     \\Sigma^+     _                                       6.13          _              _            false\n  1       2     \\Pi        2       2     \\Sigma^+     _                                       7.30          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.68          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.74          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.59          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          6.35          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.33          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.05          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.31          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.47          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.14          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.86          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.14          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.86          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{R}; n \\rightarrow 3s)          6.20          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.67          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.89          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        7.21          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{R}; n \\rightarrow 3p)          6.74          _              _            false\n  1       1     A_g        2       1     B_{1u}       (\\mathrm{R}; n \\rightarrow 3p)          7.03          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.60          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.60          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.57          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.82          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.19          _              _            false\n  1       1     A_g        2       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.59          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_exp.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             4.01          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    5.12          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow  \\pi^\\star)            6.02          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.11          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.47          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : CFOUR\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               2.04          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.81          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.67          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.87          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.07          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.56          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.39          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.67          _              _            false\n  1       1     A_1        2       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.03          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_FCI_aug-cc-pVTZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.63          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_CC3_aug-cc-pVQZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.60          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.37          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.21          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.30          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_MS-CASPT2_aug-cc-pVTZ_double.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : MS-CASPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.28          _              _            false\n",
 "/QUESTDB_website/data/abs/beryllium_CC3_aug-cc-pVTZ_double.dat": "# Molecule : Beryllium\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : \n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     S          1       1     D            (2s,2s \\rightarrow 2p,2p)               7.17          32             _            false\n",
 "/QUESTDB_website/data/abs/hsif_CCSDT_aug-cc-pVTZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.06          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CCSDT_aug-cc-pVTZ_double.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   6.35          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.48          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.30         _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.75         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            13.06         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.37         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.12         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.97         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.73          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.33          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.35          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.27         _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_CC2_aug-cc-pVTZ.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.37          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.95          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.62          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CIS(D\u221e)_aug-cc-pVTZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : MRCC\n# method   : CIS(D\u221e),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.40          _              _            false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           7.87          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           9.05          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 4s)           9.67          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.16          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_CCSDT_aug-cc-pVDZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.05          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.33          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.47          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.34          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CC2_aug-cc-pVTZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : MRCC\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.39          _              _            false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           7.85          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           9.05          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 4s)           9.65          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.14          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.44          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.00          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.11          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.58          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.37          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.08          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_CCSD_aug-cc-pVTZ.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : MRCC\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.76          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.86          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.30          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.46          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.44          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.29          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.06          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.29          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : MRCC\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.70          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.76          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Acetone\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.40          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.62          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          7.68          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.05          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.05          _              _            false\n",
 "/QUESTDB_website/data/abs/beryllium_CASPT2_aug-cc-pVTZ_double.dat": "# Molecule : Beryllium\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVTZ\n# geom     : \n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     S          1       1     D            (2s,2s \\rightarrow 2p,2p)               7.12          _              _            false\n",
 "/QUESTDB_website/data/abs/bh2_RO-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{BH2}\n# Comment  : \n# code     : \n# method   : RO-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A_1         1       2     B_1          _                                       1.20          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Benzene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.27          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.45          _              _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        6.52          _              _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.06          _              _            false\n  1       1     A_{1g}     1       1     E_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.12          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.37          _              _            false\n  1       1     A_{1g}     1       3     E_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.07          _              _            false\n  1       1     A_{1g}     1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.87          _              _            false\n",
 "/QUESTDB_website/data/abs/beryllium_CC3_6-31+G(d)_double.dat": "# Molecule : Beryllium\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : \n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     S          1       1     D            (2s,2s \\rightarrow 2p,2p)               8.04          2              _            false\n",
 "/QUESTDB_website/data/abs/cf2_CC3(Full)_aug-cc-pCVQZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pCVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.02          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.75          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_CC2_aug-cc-pVTZ.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.16          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.26          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.09          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.57          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.70          _              _            false\n  1       1     A_g        2       1     B_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.63          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.45          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.30          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.21          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_CC3(SC)_aug-cc-pVQZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : CC3(SC),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.06          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_PC-NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     E_{2g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.51          _              _            false\n  1       1     A_{1g}     2       1     A_{1g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 10.00         _              _            false\n",
 "/QUESTDB_website/data/abs/imidazole_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Imidazole\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{R};\\pi \\rightarrow 3s)         6.00          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.80          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.76          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.92          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{R};\\pi \\rightarrow 3s)         5.96          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.99          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.53          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.17          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.93          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.88          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.88          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           8.37          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V})                            9.41          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.76          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.75          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.22          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.83          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.77          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.81          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R})                            8.69          _              _            false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.74          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.19          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.42          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.01          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.72          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.97          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : SOS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.67          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.61          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.27          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.59          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_TBE_aug-cc-pVTZ.dat": "# Molecule : Formamide\n# Comment  : \n# code     : MRCC\n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.65          90.8           0.000        false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s)           6.77          88.6           0.001        true\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.63          89.3           0.251        true\n  1       1     A^\\prime   4       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3p)           7.38          89.6           0.111        true\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.38          97.7           _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.81          98.2           _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.97          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CC3(Full)_t-aug-cc-pVQZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),t-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3s)                      6.61          _              _            false\n  1       1     A_1        1       1     E            (n \\rightarrow 3p)                      8.16          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      8.60          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 4s)                      9.16          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3s)                      6.34          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.68          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.95          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.44          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.13          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.32          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.06          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.53          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.04          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.40          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           5.89          _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_CC2_aug-cc-pVTZ.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime    1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.41          _              _            false\n  1       1     A^\\prime    1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.98          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CC3_aug-cc-pVQZ_double.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   6.76          1              _            false\n",
 "/QUESTDB_website/data/abs/hcp_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.90          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.22          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.41          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.20          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.68          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R})                            6.09          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    0.91          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.49          _              _            false\n",
 "/QUESTDB_website/data/abs/triazine_CCSD_aug-cc-pVTZ.dat": "# Molecule : Triazine\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.92          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.99          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.99          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.91          _              _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.34          _              _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          7.45          _              _            false\n  1       1     A_1^\\prime 2       1     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   8.13          _              _            false\n  1       1     A_1^\\prime 2       1     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.14          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.51          _              _            false\n  1       1     A_1^\\prime 1       3     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.67          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.91          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.74          _              _            false\n  1       1     A_1^\\prime 1       3     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.70          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.59          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.01          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CC3(Full)_d-aug-cc-pVQZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3s)                      6.61          _              _            false\n  1       1     A_1        1       1     E            (n \\rightarrow 3p)                      8.16          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      8.61          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 4s)                      9.17          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3s)                      6.34          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_CCSD_aug-cc-pVTZ.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.64          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.96          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.26          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.37          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.84          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.77          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.66          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   7.32          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.96          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.66          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.31          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.27          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.53          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.23          _              _            false\n  1       1     A_g        2       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.28          _              _            false\n  1       1     A_g        2       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.52          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Propynal\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.78          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.73          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.38          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.67          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_CC2_aug-cc-pVTZ.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.23          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.91          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.96          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.30          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.47          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.89          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.72          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.20          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.66          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.86          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Benzene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.14          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.35          _              _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        6.45          _              _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        6.99          _              _            false\n  1       1     A_{1g}     1       1     E_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.06          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.16          _              _            false\n  1       1     A_{1g}     1       3     E_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.83          _              _            false\n  1       1     A_{1g}     1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.69          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Acetone\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               4.46          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.42          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 3p)                      7.43          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      7.48          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3p)                      7.58          _              _            false\n",
 "/QUESTDB_website/data/abs/furan_CCSDT_6-31+G(d).dat": "# Molecule : Furan\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    6.28          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.52          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.67          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.77          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.99          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    7.54          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.28          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.54          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    6.19          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3p)                    6.71          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_CCSDT_aug-cc-pVDZ_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     E_{2g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.38          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_CCSD_aug-cc-pVTZ.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.47          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.57          _              _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.85          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R};\\pi \\rightarrow 3p)         6.00          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.68          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.32          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_FCI_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.59          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Pyridine\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.96          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.17          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.40          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.63          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          6.76          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.81          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.38          _              _            false\n  1       1     A_1        4       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.39          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.33          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.46          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.79          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.05          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.35          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.25          _              _            false\n",
 "/QUESTDB_website/data/abs/water_CC3_aug-cc-pVTZ.dat": "# Molecule : Water\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.65          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          9.43          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          10.00         _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.28          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; n \\rightarrow 3p)          9.26          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.56          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.13          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.78          _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.07          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.82          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_CCSDTQ_6-31+G(d).dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.25          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.89          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.71          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.97          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.39          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.69          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_CC3(SC)_aug-cc-pVQZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : CC3(SC),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.96          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienone_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienone\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.99          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.59          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.33          _              _            true\n",
 "/QUESTDB_website/data/abs/cyclopentadienone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienone\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.91          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.76          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.56          _              _            true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.44          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.66          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.16          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_CC3_6-31+G(d).dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               3.46          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               3.45          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             4.67          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3s)                      5.26          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.53          _              _            false\n  1       1     A_1        3       1     B_2          (n \\rightarrow 3p)                      5.83          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.33          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               3.34          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.01          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.06          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_SOS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : SOS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.63          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.28          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.62          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.79          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.62          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.31          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.02          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.33          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.69          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.39          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.05          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           6.21          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.43          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.90          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.66          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3p)           6.00          _              _            false\n  1       1     A_1        2       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.39          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.75          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.10          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.20          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.30          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.58          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.90          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.87          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.45          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.75          _              _            true\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.98          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.10          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : MRCC\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.34          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.91          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.99          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.59          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.23          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.95          _              _            false\n",
 "/QUESTDB_website/data/abs/octatetraene_CCSD_aug-cc-pVTZ.dat": "# Molecule : Octatetraene\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.88          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.03          _              _            true\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.31          _              _            true\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.68          _              _            true\n",
 "/QUESTDB_website/data/abs/cclf_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.56          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_CC3_6-31+G(d).dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (n \\rightarrow \\pi^\\star)               4.28          _              _            false\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               5.08          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.10          _              _            false\n  1       1     A_g        1       1     B_{2g}       (n \\rightarrow \\pi^\\star)               5.86          _              _            false\n  1       1     A_g        2       1     A_g          (n \\rightarrow 3s)                      6.74          _              _            false\n  1       1     A_g        1       1     B_{1g}       (n \\rightarrow \\pi^\\star)               6.87          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             7.10          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\pi \\rightarrow 3s)                    7.36          _              _            false\n  1       1     A_g        2       1     B_{2u}       (n \\rightarrow 3p)                      7.39          _              _            false\n  1       1     A_g        2       1     B_{1u}       (n \\rightarrow 3p)                      7.56          _              _            false\n  1       1     A_g        3       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             8.19          _              _            false\n  1       1     A_g        1       3     B_{3u}       (n \\rightarrow \\pi^\\star)               3.68          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.39          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             4.56          _              _            false\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               5.05          _              _            false\n  1       1     A_g        1       3     B_{2g}       (n \\rightarrow \\pi^\\star)               5.18          _              _            false\n  1       1     A_g        2       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             5.38          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_CC3(Full)_aug-cc-pV5Z.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               2.21          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 4s)                      5.96          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.43          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               1.93          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             3.39          _              _            false\n  1       1     A_1        1       3     B_2          (n \\rightarrow 4s)                      5.75          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_CCSDT_6-31+G(d).dat": "# Molecule : Benzene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.10          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             6.69          _              _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\pi \\rightarrow 3s)                    6.76          _              _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\pi \\rightarrow 3p)                    7.25          _              _            false\n  1       1     A_{1g}     1       1     E_{2u}       (\\pi \\rightarrow 3p)                    7.35          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.16          _              _            false\n  1       1     A_{1g}     1       3     E_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.94          _              _            false\n  1       1     A_{1g}     1       3     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             6.06          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CCSDTQ_6-31+G(d).dat": "# Molecule : Ammonia\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.96          _              _            false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           8.96          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           10.20         _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 4s)           11.64         _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.50          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.20          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.61          _              _            false\n",
 "/QUESTDB_website/data/abs/diazirine_TBE_aug-cc-pVTZ.dat": "# Molecule : Diazirine\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.09          92.5           0.002        false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 7.27          90.9           _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           7.44          93.5           0.000        false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.03          93.8           0.132        false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.49          98.2           _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.06          98.8           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.12          98.3           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           6.81          98.4           _            false\n",
 "/QUESTDB_website/data/abs/maleimide_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Maleimide\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.87          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.60          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.95          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.26          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.31          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Pyridine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.99          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.08          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.70          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.17          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          6.39          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.65          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.21          _              _            false\n  1       1     A_1        4       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.27          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.06          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.43          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.49          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.75          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.62          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.98          _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.27          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.96          _              _            false\n",
 "/QUESTDB_website/data/abs/aza-naphthalene_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Aza-naphthalene\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,cc-pVT\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.35          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.34          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.55          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.74          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.20          _              _            false\n  1       1     A_g        2       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.59          _              _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.68          _              _            false\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.74          _              _            true\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.88          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.19          _              _            false\n  1       1     A_g        3       1     A_g          (\\mathrm{R};n \\rightarrow 3s)           6.49          _              _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.07          _              _            true\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.85          _              _            true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.97          _              _            true\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.00          _              _            true\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.59          _              _            true\n  1       1     A_g        2       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.88          _              _            true\n  1       1     A_g        2       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.96          _              _            true\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.13          _              _            true\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CC3_aug-cc-pVTZ_double.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.76          3              _            false\n",
 "/QUESTDB_website/data/abs/bh2_U-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{BH2}\n# Comment  : \n# code     : \n# method   : U-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A_1         1       2     B_1          _                                       1.19          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.90          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R};\\pi \\rightarrow 3p)         6.01          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.53          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.26          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_CCSD_aug-cc-pVTZ.dat": "# Molecule : Pyridine\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.17          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.29          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.64          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.96          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          6.71          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.87          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.55          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.43          _              _            false\n  1       1     A_1        4       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.59          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.15          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.59          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.83          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.11          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.58          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.26          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.37          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.63          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.83          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           5.30          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.41          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           5.92          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.23          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.50          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.14          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.97          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CCSDTQ_aug-cc-pVTZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.48          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.93          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.07         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.96         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.52         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.72         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.28          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.44          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.26          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.48         _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CC3_aug-cc-pVTZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.35          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.91          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.03          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.53          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.24          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.98          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_CC3_6-31+G(d).dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.58          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.24          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.87          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_PC-NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi,\\pi)           6.74          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_CCSDT_aug-cc-pVDZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.62          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_CCSDTQ_6-31+G(d).dat": "# Molecule : Butadiene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\pi \\rightarrow \\pi^\\star)             6.41          _              _            false\n  1       1     A_g        1       1     B_g          (\\pi \\rightarrow 3s)                    6.54          _              _            false\n  1       1     A_g        2       1     A_g          (\\pi \\rightarrow \\pi^\\star)             6.56          _              _            false\n  1       1     A_g        1       1     A_u          (\\pi \\rightarrow 3p)                    6.87          _              _            false\n  1       1     A_g        2       1     A_u          (\\pi \\rightarrow 3p)                    6.94          _              _            false\n  1       1     A_g        2       1     B_u          (\\pi \\rightarrow 3p)                    7.98          _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_FCI_6-31+G(d).dat": "# Molecule : Isobutene\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    6.78          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow 3p)                    7.16          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.56          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     _                                       5.79          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       _                                       6.07          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     _                                       4.46          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       _                                       5.21          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CCSDT_aug-cc-pVTZ_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.79         _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_PC-NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.11         _              _            false\n",
 "/QUESTDB_website/data/abs/water_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Water\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.56          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          9.37          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.92          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.24          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; n \\rightarrow 3p)          9.21          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.51          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienone_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienone\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.99          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.60          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.40          _              _            true\n",
 "/QUESTDB_website/data/abs/hpo_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.35          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.28          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R};\\pi \\rightarrow 3s)         6.41          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.26          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3p)         6.74          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3p)         6.88          _              _            false\n  1       1     A_g        2       1     B_u          (\\mathrm{R};\\pi \\rightarrow 3p)         7.74          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.51          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.25          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{R};\\pi \\rightarrow 3s)         6.38          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 4p)                      6.29          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow 4s)                      6.10          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 4p)                      5.90          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 4s)                      5.75          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CC3_aug-cc-pVTZ_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.42         20             _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_CCSDT_6-31+G(d)_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.81          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_CC2_aug-cc-pVTZ.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : MRCC\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.73          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.78          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.46          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.44          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : MRCC\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.46          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.88          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.06         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            11.05         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.58         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.79         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.21          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.38          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.18          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.77          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.56         _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 4p)           6.37          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 4s)           6.34          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 4p)           5.91          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 4s)           5.96          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CC3(Full)_d-aug-cc-pV5Z.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               3.96          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      7.25          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3p)                      8.08          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      8.22          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 3p)                      8.47          _              _            false\n  1       1     A_1        1       1     B_1          (\\sigma \\rightarrow \\pi^\\star)          9.18          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             9.31          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.57          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.06          _              _            false\n  1       1     A_1        1       3     B_2          (n \\rightarrow 3s)                      7.11          _              _            false\n  1       1     A_1        2       3     B_2          (n \\rightarrow 3p)                      7.94          _              _            false\n  1       1     A_1        2       3     A_1          (n \\rightarrow 3p)                      8.13          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3d)                      8.41          _              _            false\n",
 "/QUESTDB_website/data/abs/naphthalene_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Naphthalene\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.82          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.30          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.98          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.38          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.50          _              _            true\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{R};\\pi \\rightarrow 3p)         6.41          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{R};\\pi \\rightarrow 3p)         6.38          _              _            false\n  1       1     A_g        2       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.65          _              _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{R};\\pi \\rightarrow 3s)         6.72          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.90          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.05          _              _            false\n  1       1     A_g        3       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.27          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.47          _              _            true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.48          _              _            true\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.73          _              _            true\n  1       1     A_g        2       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.08          _              _            true\n  1       1     A_g        2       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.22          _              _            true\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.78          _              _            true\n  1       1     A_g        2       3     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.69          _              _            true\n  1       1     A_g        2       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.83          _              _            true\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.96          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s/3p)        6.33          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_CC3_aug-cc-pV5Z.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.59          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.36          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.21          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.29          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_TBE_aug-cc-pVTZ.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.88          91.0           0.000        false\n  1       1     A_g        1       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.24          88.3           _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V}; n,n  \\rightarrow \\pi^\\star,\\pi^\\star) 5.61          0.5            _            true\n  1       1     A_g        2       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.57          83.9           _            false\n  1       1     A_g        1       1     B_u          (\\mathrm{R}; n \\rightarrow 3p)          7.71          91.7           0.095        false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.49          97.6           _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.89          97.4           _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.15          98.5           _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.30          98.8           _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CC3_t-aug-cc-pVQZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : Dalton\n# method   : CC3,t-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V}; n \\rightarrow \\pi^\\star)   9.33          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.87          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 10.27         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R}; n \\rightarrow \\sigma^\\star) 12.27         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            12.89         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R}; n \\rightarrow \\sigma^\\star) 12.94         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.34         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.71          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V}; n \\rightarrow \\pi^\\star)   8.04          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.87          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.68          _              _            false\n",
 "/QUESTDB_website/data/abs/water_CC3_aug-cc-pVQZ.dat": "# Molecule : Water\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow 3s)                      7.65          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3p)                      9.43          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3s)                      10.00         _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3s)                      7.28          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3p)                      9.26          _              _            false\n  1       1     A_1        1       3     A_1          (n \\rightarrow 3s)                      9.56          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_CC3_d-aug-cc-pVQZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : Dalton\n# method   : CC3,d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             7.09          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             7.41          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\pi \\rightarrow \\pi^\\star)             5.53          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             6.40          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             7.07          _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.37          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.95          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.62          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.12          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.66          _              _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.55          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R};\\pi \\rightarrow 3p)         5.70          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.44          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.07          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_CCSDT_aug-cc-pVTZ_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.79          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_CCSD_aug-cc-pVTZ.dat": "# Molecule : Acetone\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.54          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.59          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          7.57          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          7.63          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          7.70          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.15          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.19          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_exp.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\sigma \\rightarrow \\pi^\\star)          6.45          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             7.00          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.16          _              _            false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_CC2_aug-cc-pVTZ.dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.74          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.19          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.29          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.03          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.77          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.99          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.80          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s/3p)        6.17          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    0.94          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.39          _              _            false\n",
 "/QUESTDB_website/data/abs/naphthalene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Naphthalene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.35          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.93          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.81          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.11          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.03          _              _            true\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{R};\\pi \\rightarrow 3p)         6.23          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{R};\\pi \\rightarrow 3p)         6.31          _              _            false\n  1       1     A_g        2       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.26          _              _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{R};\\pi \\rightarrow 3s)         6.44          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.48          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.66          _              _            false\n  1       1     A_g        3       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.34          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.36          _              _            true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.30          _              _            true\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.60          _              _            true\n  1       1     A_g        2       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.79          _              _            true\n  1       1     A_g        2       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.12          _              _            true\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.57          _              _            true\n  1       1     A_g        2       3     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.45          _              _            true\n  1       1     A_g        2       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.69          _              _            true\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.46          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.88          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.06         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            11.05         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.58         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.79         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.21          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.38          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.18          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.77          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.56         _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_FCI_aug-cc-pVTZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.32          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.04          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_CC3_aug-cc-pVTZ.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.14          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.97          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.03          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.71          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{R}; n \\rightarrow 3s)          6.66          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.73          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.86          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        7.20          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{R}; n \\rightarrow 3p)          7.25          _              _            false\n  1       1     A_g        2       1     B_{1u}       (\\mathrm{R}; n \\rightarrow 3p)          7.45          _              _            false\n  1       1     A_g        3       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.94          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.59          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.39          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.40          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.93          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.08          _              _            false\n  1       1     A_g        2       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.29          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.89          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.95          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.12          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.74          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.53          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.76          _              _            false\n  1       1     A_1        2       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.09          _              _            false\n",
 "/QUESTDB_website/data/abs/water_CC3(Full)_d-aug-cc-pVQZ.dat": "# Molecule : Water\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow 3s)                      7.66          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3p)                      9.42          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3s)                      9.94          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3s)                      7.29          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3p)                      9.26          _              _            false\n  1       1     A_1        1       3     A_1          (n \\rightarrow 3s)                      9.56          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CCSD_aug-cc-pVTZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : MRCC\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.41          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.00         _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.44         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            13.15         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.43         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.26         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.67         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.66          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.09          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.91          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.83          _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_CC3_aug-cc-pVTZ.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.65          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.96          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.14          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.14          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.25          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.50          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.29          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.35          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.94          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.77          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.95          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.09          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_TBE_CBS_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : TBE,CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     E_{2g}       double                                  8.28          73             _            false\n  1       1     A_{1g}     2       1     A_{1g}       double                                  10.54         _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.08          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.42          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.20          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.13          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.84          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_TBE(Full)_CBS.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.05          _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_CC3_aug-cc-pVQZ.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    6.47          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow 3p)                    6.99          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.54          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_FCI_aug-cc-pVDZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.04          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.32          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.49          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.34          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.10          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.90          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.69          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.29          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.21          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.33          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.86          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.65          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.80          _              _            false\n  1       1     A_g        2       1     B_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.68          _              _            false\n",
 "/QUESTDB_website/data/abs/beryllium_CCSDT_aug-cc-pVDZ_double.dat": "# Molecule : Beryllium\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : \n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     S          1       1     D            (2s,2s \\rightarrow 2p,2p)               7.22          _              _            false\n",
 "/QUESTDB_website/data/abs/diazirine_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Diazirine\n# Comment  : \n# code     : \n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.02          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 7.24          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           7.34          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.92          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.38          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.99          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.04          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           6.73          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c3_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C3\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.49          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.50          _              _            false\n",
 "/QUESTDB_website/data/abs/imidazole_CC3_aug-cc-pVDZ.dat": "# Molecule : Imidazole\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\pi \\rightarrow 3s)                    5.60          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             6.43          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               6.42          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi \\rightarrow 3p)                    6.93          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             4.78          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\pi \\rightarrow 3s)                    5.57          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.78          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               6.37          _              _            false\n",
 "/QUESTDB_website/data/abs/hco_U-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCO}\n# Comment  : \n# code     : \n# method   : U-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A^\\prime   1       2     A^{\\prime\\prime} _                                       2.14          _              _            false\n  1       2     A^\\prime   2       2     A^\\prime     _                                       5.54          _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_CC3_aug-cc-pVQZ.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime    1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.32          _              _            false\n  1       1     A^\\prime    1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.97          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.34          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.45          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          6.05          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.23          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.55          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.05          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.87          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_CCSDT_6-31+G(d).dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.24          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.88          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.79          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.97          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.39          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.67          _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.46          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.01          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.68          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Propynal\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.79          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.46          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.42          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.38          _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_TBE_aug-cc-pVTZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.31          91.1           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.06          97.8           _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_CCSDT_aug-cc-pVDZ_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.82          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     6.49          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridazine_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.76          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.44          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.76          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.45          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.47          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.06          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.13          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.89          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.78          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.83          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.27          _              _            false\n  1       1     A_g        2       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.50          _              _            false\n  1       1     A_g        1       1     B_u          (\\mathrm{R}; n \\rightarrow 3p)          7.18          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.39          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.82          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.33          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.45          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_CC3(Full)_d-aug-cc-pVQZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.18          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.60          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.67          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.26         _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.47         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            11.25         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.75         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.96         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.53          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.59          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.59          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.22         _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.77         _              _            false\n",
 "/QUESTDB_website/data/abs/hps_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.51          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CCSDTQP_6-31+G(d)_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : CCSDTQP,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.39         _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : MRCC\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.69          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.03         _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.30         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            11.32         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.83         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            12.03         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.45          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.54          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.33          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.01         _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.83         _              _            false\n",
 "/QUESTDB_website/data/abs/furan_CC3_6-31+G(d).dat": "# Molecule : Furan\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    6.26          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.50          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.71          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.76          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.97          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    7.53          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.28          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.56          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    6.18          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3p)                    6.69          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_FCI_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             7.1           _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             5.52          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Propynal\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.95          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.95          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.55          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.81          _              _            false\n",
 "/QUESTDB_website/data/abs/beh_U-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{BeH}\n# Comment  : \n# code     : \n# method   : U-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Sigma^+     1       2     \\Pi          _                                       2.51          _              _            false\n  1       2     \\Sigma^+     2       2     \\Pi          _                                       6.47          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_SOS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : SOS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.68          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_CCSDT_6-31+G(d).dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.05          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.40          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.86          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.80          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.01          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.23          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.86          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CCSDTQP_aug-cc-pVDZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : \n# method   : CCSDTQP,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.82          _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.33          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.82          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.30          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.81          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.54          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.22          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.92          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.97          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.23          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.38          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.80          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.48          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.19          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.43          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.87          _              _            false\n",
 "/QUESTDB_website/data/abs/beryllium_CASPT2_6-31+G(d)_double.dat": "# Molecule : Beryllium\n# Comment  : \n# code     : \n# method   : CASPT2,6-31+G(d)\n# geom     : \n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     S          1       1     D            (2s,2s \\rightarrow 2p,2p)               8.02          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.95          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CC2_aug-cc-pVTZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : MRCC\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.96          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_CCSDTQP_6-31+G(d).dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : CCSDTQP,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.48          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_CC3_aug-cc-pV5Z.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.61          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.46          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.89          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.42          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.00          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.37          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.68          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.67          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.08          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.66          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.88          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.60          _              _            false\n",
 "/QUESTDB_website/data/abs/benzoquinone_CC3_aug-cc-pVTZ.dat": "# Molecule : Benzoquinone\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.79          85.3           _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.94          84.1           _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};double)                     6.02          0.0            _            true\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.53          88.6           _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.58          88.4           0.471        true\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.75          79.8           0.001        true\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.94          76.2           _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.27          74.8           _            true\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.34          83.5           _            true\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.20          86.6           _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.56          96.0           _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.71          95.6           _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.14          97.7           _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.44          97.9           _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_CC3_aug-cc-pV5Z.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             4.32          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    5.47          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3p)                    5.97          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.04          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             3.51          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.75          _              _            false\n",
 "/QUESTDB_website/data/abs/water_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Water\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.17          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          8.92          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.52          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; n \\rightarrow 3s)          6.92          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; n \\rightarrow 3p)          8.91          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.30          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CASPT2_aug-cc-pVQZ_double.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.43          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.55          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.24         _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.63         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            13.33         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.64         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.41         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            14.03         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.49          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.43          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.33          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.21         _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.52          _              _            false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           8.04          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           9.21          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 4s)           9.84          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.23          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.87          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.20          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.35          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.22          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.76          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.31          _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_CCSDT_6-31+G(d).dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.30          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.00          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.83          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.23          _              _            false\n  1       1     A_g        2       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.80          _              _            false\n  1       1     A_g        1       1     B_u          (\\mathrm{R}; n \\rightarrow 3p)          7.86          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.40          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.85          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.83          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.93          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_FCI_aug-cc-pVDZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 4p)                      6.29          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow 4s)                      6.10          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 4p)                      5.90          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 4s)                      5.75          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_CCSD_aug-cc-pVTZ.dat": "# Molecule : Formamide\n# Comment  : \n# code     : MRCC\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.69          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s)           6.99          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.55          _              _            true\n  1       1     A^\\prime   4       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3p)           7.78          _              _            true\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.36          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.77          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.49          _              _            false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           7.98          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           9.14          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           9.77          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.27          _              _            false\n",
 "/QUESTDB_website/data/abs/water_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Water\n# Comment  : \n# code     : \n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.84          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          9.63          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          10.22         _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.41          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; n \\rightarrow 3p)          9.43          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.70          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.79          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.60          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.14          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.24          _              _            true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.81          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.86          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_CC3(Full)_aug-cc-pCVQZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pCVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.47          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_CCSD_aug-cc-pVTZ.dat": "# Molecule : Benzene\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.20          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.50          _              _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        6.58          _              _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.12          _              _            false\n  1       1     A_{1g}     1       1     E_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.20          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.00          _              _            false\n  1       1     A_{1g}     1       3     E_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.93          _              _            false\n  1       1     A_{1g}     1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.77          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Benzene\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.14          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.47          _              _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        6.54          _              _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.10          _              _            false\n  1       1     A_{1g}     1       1     E_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.17          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.62          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.74          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.98          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.31          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.50          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.31          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.99          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_CCSDT_6-31+G(d).dat": "# Molecule : Ketene\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.85          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.94          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.38          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.78          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.62          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.70          _              _            false\n  1       1     A_1        2       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.31          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Formamide\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.69          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.36          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.99          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienethione_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienethione\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.75          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.69          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.99          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CC3_6-31+G(d).dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.02          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s/3p)        6.49          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.14          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.55          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_CCSDTQ_6-31+G(d).dat": "# Molecule : Acetylene\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.40          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.73          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.57          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.28          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : MRCC\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.20          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.80          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.69          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.94          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          7.12          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_CC3_aug-cc-pVTZ.dat": "# Molecule : Pyridine\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.96          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.17          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.40          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.63          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          6.76          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.81          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.38          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.38          _              _            false\n  1       1     A_1        4       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.39          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.33          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.46          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.79          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.05          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.35          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.25          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_PC-NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVQZ\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi\\rightarrow \\pi^\\star,\\pi^\\star) 5.64          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.92          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.50          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.53          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.47          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           7.99          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 9.17          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.46          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.46          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.20          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.39          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.41          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.40          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3d)           8.39          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.99          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.25          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.77          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.46          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_CC3_d-aug-cc-pVQZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : Dalton\n# method   : CC3,d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.20          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.62          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               2.21          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 4s)                      5.95          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.45          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               1.94          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             3.39          _              _            false\n  1       1     A_1        1       3     B_2          (n \\rightarrow 4s)                      5.75          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_SOS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : SOS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.58          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.54          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_TBE_CBS_double.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : TBE,CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          double                                  4.60          1              _            false\n  1       1     A_g        1       1     B_{3g}       double                                  6.14          1              _            false\n  1       1     A_g        1       3     B_{3g}       double                                  5.51          6              _            false\n",
 "/QUESTDB_website/data/abs/water_CC3_6-31+G(d).dat": "# Molecule : Water\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; n \\rightarrow 3s)          8.32          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          10.74         _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          10.84         _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.71          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; n \\rightarrow 3p)          10.34         _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R}; n \\rightarrow 3s)          10.16         _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_CC2_aug-cc-pVTZ.dat": "# Molecule : Benzene\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.26          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.48          _              _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        6.47          _              _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.00          _              _            false\n  1       1     A_{1g}     1       1     E_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.06          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.37          _              _            false\n  1       1     A_{1g}     1       3     E_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.08          _              _            false\n  1       1     A_{1g}     1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.89          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.00          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.62          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.01          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.46          _              _            false\n  1       1     A_g        2       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   7.01          _              _            false\n  1       1     A_g        1       1     B_u          (\\mathrm{R}; n \\rightarrow 3p)          7.25          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.59          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.00          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.47          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.54          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_PC-NEVPT2_6-31+G(d)_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     E_{2g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.58          _              _            false\n  1       1     A_{1g}     2       1     A_{1g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 10.35         _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               3.45          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               3.42          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             4.64          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3s)                      5.21          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.50          _              _            false\n  1       1     A_1        3       1     B_2          (n \\rightarrow 3p)                      5.84          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.32          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               3.30          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.02          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.07          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.95          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.65          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_TBE_aug-cc-pVTZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.96          91.2           _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.73          97.9           _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c3_TBE_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C3\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.82          87.2           0.755        false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.44          98.0           _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : MOLPRO\n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             4.37          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    5.49          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3p)                    6.00          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow  \\pi^\\star)            6.36          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             3.66          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.87          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.93          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.19          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           8.11          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.19          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           8.63          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V})                            9.22          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.54          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.49          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.09          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.03          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.92          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.06          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R})                            8.40          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.43          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.81          _              _            false\n",
 "/QUESTDB_website/data/abs/water_CC3_aug-cc-pVDZ.dat": "# Molecule : Water\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow 3s)                      7.51          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3p)                      9.29          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3s)                      9.92          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3s)                      7.13          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3p)                      9.12          _              _            false\n  1       1     A_1        1       3     A_1          (n \\rightarrow 3s)                      9.47          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_CC3_aug-cc-pVDZ.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               2.59          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 4s)                      5.44          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.97          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 4p)                      6.45          _              _            false\n  1       1     A_1        3       1     A_1          (n \\rightarrow 4p)                      6.54          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               2.36          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             3.51          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.59          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R})                            6.08          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    0.69          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.27          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Benzene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.14          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.35          _              _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        6.45          _              _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        6.99          _              _            false\n  1       1     A_{1g}     1       1     E_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.06          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.16          _              _            false\n  1       1     A_{1g}     1       3     E_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.83          _              _            false\n  1       1     A_{1g}     1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.69          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.91          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.06          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.99          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.04          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           8.50          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 9.17          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.26          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.47          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.96          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.92          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.82          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.93          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3d)           8.36          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_FCI_6-31+G(d).dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.85          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             6.59          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.60          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             3.98          _              _            false\n",
 "/QUESTDB_website/data/abs/benzoquinone_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Benzoquinone\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.89          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.04          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};double)                     6.85          _              _            true\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.62          _              _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.65          _              _            true\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.96          _              _            true\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.18          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.55          _              _            true\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.48          _              _            true\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.31          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.65          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_CC3_aug-cc-pVDZ.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (n \\rightarrow \\pi^\\star)               2.49          _              _            false\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               3.69          _              _            false\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star, \\pi^\\star)  6.22          _              _            true\n  1       1     A_g        1       1     B_{1g}       (n \\rightarrow \\pi^\\star)               4.97          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.27          _              _            false\n  1       1     A_g        1       1     B_{2g}       (n \\rightarrow \\pi^\\star)               5.53          _              _            false\n  1       1     A_g        2       1     A_u          (n \\rightarrow \\pi^\\star)               5.59          _              _            false\n  1       1     A_g        1       1     B_{3g}       (n,n \\rightarrow \\pi^\\star, \\pi^\\star)  7.62          _              _            true\n  1       1     A_g        2       1     B_{2g}       (n \\rightarrow \\pi^\\star)               6.17          _              _            false\n  1       1     A_g        2       1     B_{1g}       (n \\rightarrow \\pi^\\star)               6.98          _              _            false\n  1       1     A_g        1       3     B_{3u}       (n \\rightarrow \\pi^\\star)               1.86          _              _            false\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               3.43          _              _            false\n  1       1     A_g        1       3     B_{1g}       (n \\rightarrow \\pi^\\star)               4.23          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.54          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             4.58          _              _            false\n  1       1     A_g        1       3     B_{2g}       (n \\rightarrow \\pi^\\star)               5.09          _              _            false\n  1       1     A_g        2       3     A_u          (n \\rightarrow \\pi^\\star)               5.15          _              _            false\n  1       1     A_g        1       3     B_{3g}       (n,n \\rightarrow \\pi^\\star, \\pi^\\star)  7.33          _              _            true\n  1       1     A_g        2       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             5.46          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienone_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienone\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.92          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.55          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.11          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.57          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.95          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_CC2_aug-cc-pVTZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : MRCC\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.32          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.65          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Formamide\n# Comment  : \n# code     : MRCC\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.72          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s)           6.94          _              _            true\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.29          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.74          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_CCSDTQ_6-31+G(d).dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     _                                       6.02          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       _                                       6.29          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CCSD_aug-cc-pVTZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : MRCC\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.42          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.02          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.08          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.46          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.29          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.03          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CCSDT_6-31+G(d)_double.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.26          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.50          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.83          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.05          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.05          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.32          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.77          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.63          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.23          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.64          _              _            true\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.75          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.92          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_CC3_6-31+G(d).dat": "# Molecule : Butadiene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\pi \\rightarrow \\pi^\\star)             6.41          _              _            false\n  1       1     A_g        1       1     B_g          (\\pi \\rightarrow 3s)                    6.53          _              _            false\n  1       1     A_g        2       1     A_g          (\\pi \\rightarrow \\pi^\\star)             6.73          _              _            false\n  1       1     A_g        1       1     A_u          (\\pi \\rightarrow 3p)                    6.87          _              _            false\n  1       1     A_g        2       1     A_u          (\\pi \\rightarrow 3p)                    6.93          _              _            false\n  1       1     A_g        2       1     B_u          (\\pi \\rightarrow 3p)                    7.98          _              _            false\n  1       1     A_g        1       3     B_u          (\\pi \\rightarrow \\pi^\\star)             3.35          _              _            false\n  1       1     A_g        1       3     A_g          (\\pi \\rightarrow \\pi^\\star)             5.22          _              _            false\n  1       1     A_g        1       3     B_g          (\\pi \\rightarrow 3s)                    6.46          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_TBE(Full)_CBS.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.61          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.08          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.44          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_TBE_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.80          94.3           _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.07          94.0           _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.44          98.5           _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.21          98.2           _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CC2_aug-cc-pVTZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : MRCC\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.29          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.92          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.95          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.59          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.19          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.91          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.24          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.56          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.75          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.57          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.27          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.55          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 4s)          5.55          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.90          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 4p)          6.51          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 4p)          6.61          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.34          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.46          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.45          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.82          _              _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.98          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R};\\pi \\rightarrow 3p)         6.16          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.98          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.43          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_CC3_d-aug-cc-pVQZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3,d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               2.23          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 4s)                      5.95          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.45          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               1.95          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             3.40          _              _            false\n  1       1     A_1        1       3     B_2          (n \\rightarrow 4s)                      5.75          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_FCI_6-31+G(d)_double.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.00          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_CC3_6-31+G(d).dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     _                                       6.02          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       _                                       6.29          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     _                                       4.44          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       _                                       5.35          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_CCSD_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.29          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.97          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.63          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.95          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.28          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.76          _              _            false\n",
 "/QUESTDB_website/data/abs/beryllium_NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Beryllium\n# Comment  : \n# code     : \n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : \n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     S          1       1     D            (2s,2s \\rightarrow 2p,2p)               7.11          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_CC3_aug-cc-pVQZ_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.23          0              _            false\n",
 "/QUESTDB_website/data/abs/pyridazine_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.28          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.85          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.77          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.27          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.65          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.85          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.10          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.53          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.49          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.62          _              _            true\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.19          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_CC3(Full)_d-aug-cc-pVQZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CC3(Full),d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     _                                       5.79          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       _                                       6.07          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     _                                       4.46          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       _                                       5.21          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_exp.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (n \\rightarrow \\pi^\\star)               8.51          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\pi \\rightarrow \\pi^\\star)             9.88          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\pi \\rightarrow \\pi^\\star)             10.23         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.78         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.40         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.53         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (n \\rightarrow \\pi^\\star)               6.32          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\pi \\rightarrow \\pi^\\star)             8.51          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\pi \\rightarrow \\pi^\\star)             9.36          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\pi \\rightarrow \\pi^\\star)             9.88          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.4          _              _            false\n",
 "/QUESTDB_website/data/abs/nco_U-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{NCO}\n# Comment  : \n# code     : \n# method   : U-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Pi        1       2     \\Sigma^+     _                                       3.04          _              _            false\n  1       2     \\Pi        2       2     \\Pi          _                                       5.01          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\pi \\rightarrow \\pi^\\star)             6.27          _              _            false\n  1       1     A_g        1       1     B_g          (\\pi \\rightarrow 3s)                    6.27          _              _            false\n  1       1     A_g        2       1     A_g          (\\pi \\rightarrow \\pi^\\star)             6.59          _              _            false\n  1       1     A_g        1       1     A_u          (\\pi \\rightarrow 3p)                    6.59          _              _            false\n  1       1     A_g        2       1     A_u          (\\pi \\rightarrow 3p)                    6.74          _              _            false\n  1       1     A_g        2       1     B_u          (\\pi \\rightarrow 3p)                    7.87          _              _            false\n  1       1     A_g        1       3     B_u          (\\pi \\rightarrow \\pi^\\star)             3.36          _              _            false\n  1       1     A_g        1       3     A_g          (\\pi \\rightarrow \\pi^\\star)             5.21          _              _            false\n  1       1     A_g        1       3     B_g          (\\pi \\rightarrow 3s)                    6.21          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.18          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.36          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          7.07          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.19          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.13          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.88          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.01          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.39          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_CC3_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.54          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.77          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.40          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.45          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.56          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.57          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.32          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.12          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.73          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.36          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.26          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.00          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.03          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.27          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.36          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.85          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_CC3_6-31+G(d).dat": "# Molecule : Propynal\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.90          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             5.69          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.56          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             4.46          _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_CCSD_aug-cc-pVTZ.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.54          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.09          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.48          _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime    1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.32          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_SC-NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVQZ\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi\\rightarrow \\pi^\\star,\\pi^\\star) 5.67          _              _            false\n",
 "/QUESTDB_website/data/abs/beryllium_CC3_aug-cc-pVQZ_double.dat": "# Molecule : Beryllium\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVQZ\n# geom     : \n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     S          1       1     D            (2s,2s \\rightarrow 2p,2p)               7.12          34             _            false\n",
 "/QUESTDB_website/data/abs/cclf_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.63          _              _            false\n",
 "/QUESTDB_website/data/abs/cno_RO-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{CNO}\n# Comment  : \n# code     : \n# method   : RO-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Sigma^+   2       2     \\Sigma^+     _                                       2.25          _              _            false\n  1       2     \\Sigma^+   1       2     \\Pi          _                                       5.60          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_SC-NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.69          _              _            false\n  1       1     A_g        1       1     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 6.20          _              _            false\n  1       1     A_g        1       3     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 5.57          _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [QM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.04          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.81          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.46          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.12          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 0.98          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.05          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_CC3_aug-cc-pVQZ.dat": "# Molecule : Pyridine\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               4.96          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             5.17          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               5.41          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.62          _              _            false\n  1       1     A_1        3       1     A_1          (n \\rightarrow 3s)                      6.80          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3s)                    6.83          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow \\pi^\\star)             7.40          _              _            false\n  1       1     A_1        2       1     B_1          (\\pi \\rightarrow 3p)                    7.40          _              _            false\n  1       1     A_1        4       1     A_1          (\\pi \\rightarrow \\pi^\\star)             7.40          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.34          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               4.47          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.79          _              _            false\n  1       1     A_1        2       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.05          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               5.37          _              _            false\n  1       1     A_1        2       3     B_2          (\\pi \\rightarrow \\pi^\\star)             6.25          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienone_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienone\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.96          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.74          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.58          _              _            true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.50          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.67          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.42          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.34          _              _            false\n",
 "/QUESTDB_website/data/abs/oh_RO-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{OH}\n# Comment  : \n# code     : \n# method   : RO-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Pi        1       2     \\Sigma^+     _                                       4.13          _              _            false\n  1       2     \\Pi        1       2     \\Sigma^-     _                                       7.76          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Ketene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.89          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.95          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.12          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.74          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.53          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.76          _              _            false\n  1       1     A_1        2       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.09          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.62          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.75          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.33          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.37          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.50          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.63          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.52          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.30          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.73          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.31          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_SC-NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.48          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CC3_aug-cc-pVQZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.96          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.74          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (n \\rightarrow 3s/3p)                   6.35          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.15          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.52          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_CC3_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.07          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.45          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.84          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.83          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.03          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.31          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.80          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_CCSDT_6-31+G(d).dat": "# Molecule : Pyridine\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               5.10          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             5.20          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               5.54          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.84          _              _            false\n  1       1     A_1        3       1     A_1          (n \\rightarrow 3s)                      6.92          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3s)                    6.99          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow \\pi^\\star)             7.52          _              _            false\n  1       1     A_1        2       1     B_1          (\\pi \\rightarrow 3p)                    7.55          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.31          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               4.56          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.91          _              _            false\n  1       1     A_1        2       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.13          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               5.49          _              _            false\n  1       1     A_1        2       3     B_2          (\\pi \\rightarrow \\pi^\\star)             6.45          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_CCSDT_6-31+G(d).dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.89          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             6.67          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.51          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.07          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_CC3_d-aug-cc-pVQZ.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : CFOUR\n# method   : CC3,d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               4.23          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               5.58          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.36          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.56          _              _            false\n  1       1     A_1        3       1     B_2          (n \\rightarrow 3p)                      6.96          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      7.03          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             8.22          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               3.93          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.91          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               5.39          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.84          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_CASPT2_aug-cc-pVDZ_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.36          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.65          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CC3_aug-cc-pVDZ_double.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   6.70          1              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               4.23          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               5.56          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.19          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.54          _              _            false\n  1       1     A_1        3       1     B_2          (n \\rightarrow 3p)                      6.86          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      6.87          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             8.29          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               3.92          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.89          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               5.35          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.78          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (n \\rightarrow \\pi^\\star)               2.47          _              _            false\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               3.69          _              _            false\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star, \\pi^\\star)  5.96          _              _            true\n  1       1     A_g        1       1     B_{1g}       (n \\rightarrow \\pi^\\star)               4.93          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.21          _              _            false\n  1       1     A_g        1       1     B_{2g}       (n \\rightarrow \\pi^\\star)               5.45          _              _            false\n  1       1     A_g        2       1     A_u          (n \\rightarrow \\pi^\\star)               5.53          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.12          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.64          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_exp.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               4.13          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               5.5           _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.22          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.1           _              _            false\n  1       1     A_1        3       1     B_2          (n \\rightarrow 3p)                      6.88          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             8.1           _              _            true\n",
 "/QUESTDB_website/data/abs/cf2_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.07          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_FCI_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               2.22          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 4s)                      5.96          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.4           _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               1.94          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             3.43          _              _            false\n  1       1     A_1        1       3     B_2          (n \\rightarrow 4s)                      5.6           _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_FCI_6-31+G(d).dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               2.08          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c5_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C5\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.33          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.56          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_CCSDT_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.58          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_CC3_aug-cc-pVTZ.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.74          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.65          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.75          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          7.07          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.46          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.94          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.19          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.61          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CC3(Full)_d-aug-cc-pV5Z.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\pi \\rightarrow 3s)                    7.39          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             7.90          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\pi \\rightarrow 3p)                    8.05          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.53          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\pi \\rightarrow 3s)                    7.29          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\pi \\rightarrow 3p)                    8.00          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_CCSDTQ_6-31+G(d).dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.18          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.48          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.46          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.39          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_CC3_d-aug-cc-pVQZ.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi \\rightarrow \\pi^\\star)             6.67          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.39          _              _            false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           7.85          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           9.05          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 4s)           9.65          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.14          _              _            false\n",
 "/QUESTDB_website/data/abs/diazirine_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Diazirine\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.33          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 7.56          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           7.63          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.14          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.77          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.25          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.52          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           6.95          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_exp.dat": "# Molecule : Propynal\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.24          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               2.99          _              _            false\n",
 "/QUESTDB_website/data/abs/h2po_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{H2PO}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A^\\prime   1       2     A^{\\prime\\prime} _                                       2.80          _              _            false\n  1       2     A^\\prime   2       2     A^\\prime     _                                       4.21          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.16          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_PC-NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.37          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_SC-NEVPT2_6-31+G(d)_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.35          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.58          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_CASPT2_aug-cc-pVQZ_double.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 7.84          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CC3(Full)_d-aug-cc-pVQZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   8.45          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.98          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 10.11         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.72         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.34         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.46         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.29          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.47          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.30          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.81          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.33         _              _            false\n",
 "/QUESTDB_website/data/abs/imidazole_CC3_aug-cc-pVTZ.dat": "# Molecule : Imidazole\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.71          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.41          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.50          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R}; \\pi \\rightarrow 3p)        6.87          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.75          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.67          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.74          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.33          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.30          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.94          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.03          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.35          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.47          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.91          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.71          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.27          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.62          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.89          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_TBE(Full)_CBS.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.79          94.3           _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.05          94.0           _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.46          98.5           _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.21          98.2           _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_CCSD_aug-cc-pVTZ.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime    1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.36          _              _            false\n  1       1     A^\\prime    1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.95          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Pyridine\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.31          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.10          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.65          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.54          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R};n \\rightarrow 3s)           7.04          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         6.92          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         7.47          _              _            false\n  1       1     A_1        4       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.58          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.49          _              _            true\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.49          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.82          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.93          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.17          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.65          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.43          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_TBE(Full)_CBS.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.82          89.8           0.001        false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.45          91.9           0.000        false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.45          97.6           _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.02          98.4           _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.88          _              _            false\n",
 "/QUESTDB_website/data/abs/hoc_RO-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{HOC}\n# Comment  : \n# code     : \n# method   : RO-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A^\\prime   1       2     A^{\\prime\\prime} _                                       0.93          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienethione_CC2_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienethione\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.75          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.75          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.01          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.41          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.97          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.60          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CC3_d-aug-cc-pVQZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3,d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               3.97          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      7.22          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3p)                      8.05          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      8.20          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 3p)                      8.44          _              _            false\n  1       1     A_1        1       1     B_1          (\\sigma \\rightarrow \\pi^\\star)          9.19          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             9.30          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.58          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.07          _              _            false\n  1       1     A_1        1       3     B_2          (n \\rightarrow 3s)                      7.08          _              _            false\n  1       1     A_1        2       3     B_2          (n \\rightarrow 3p)                      7.91          _              _            false\n  1       1     A_1        2       3     A_1          (n \\rightarrow 3p)                      8.10          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3d)                      8.42          _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_exp.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.16          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             5.99          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.61          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.73          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.64          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.04          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s)           6.88          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.48          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.99          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.13          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.94          _              _            true\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_CCSD_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.67          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.83          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.45          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.50          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.61          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.96          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.24          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.09          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.78          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.40          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.74          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.65          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          7.07          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.46          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.94          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.19          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_CC3_aug-cc-pVTZ.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.75          93.2           0.000        false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V};double)                     5.26          0.3            0.000        false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R})                            6.26          92.4           0.038        false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    0.88          99.2           _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.59          98.5           _            false\n",
 "/QUESTDB_website/data/abs/benzene_CASPT2_aug-cc-pVTZ_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     E_{2g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.34          _              _            false\n  1       1     A_{1g}     2       1     A_{1g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 10.28         _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_TBE(Full)_CBS.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.38          94.1           _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.64          93.4           _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.93          98.5           _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.56          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.79          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.40          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.86          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.04          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.06          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.37          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.31          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.07          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.65          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.08          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_CCSDTQP_6-31+G(d).dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : CCSDTQP,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.18          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.48          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.46          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.39          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_FCI_aug-cc-pVDZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.68          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.46          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.22          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.36          _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_CC3_aug-cc-pVDZ.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.70          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.05          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    6.07          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.19          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.33          _              _            false\n  1       1     A_1        2       1     B_1          (\\pi \\rightarrow 3s)                    6.42          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    7.45          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             7.41          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             3.96          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.82          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3p)                    6.01          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    6.01          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.09          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.44          _              _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        6.52          _              _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.08          _              _            false\n  1       1     A_{1g}     1       1     E_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.15          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.18          _              _            false\n  1       1     A_{1g}     1       3     E_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.86          _              _            false\n  1       1     A_{1g}     1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.81          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.91          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.19          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           8.05          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.18          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           8.68          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 9.08          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.54          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.89          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.07          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.98          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.15          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3d)           8.36          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacrolein_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Thioacrolein\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.16          _              _            false\n",
 "/QUESTDB_website/data/abs/aza-naphthalene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Aza-naphthalene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.31          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.09          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.44          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.65          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.14          _              _            false\n  1       1     A_g        2       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.64          _              _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.53          _              _            false\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.50          _              _            true\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.64          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.12          _              _            false\n  1       1     A_g        3       1     A_g          (\\mathrm{R};n \\rightarrow 3s)           6.68          _              _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.04          _              _            true\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.67          _              _            true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.80          _              _            true\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.92          _              _            true\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.49          _              _            true\n  1       1     A_g        2       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.85          _              _            true\n  1       1     A_g        2       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.75          _              _            true\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.02          _              _            true\n",
 "/QUESTDB_website/data/abs/co+_U-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{CO+}\n# Comment  : \n# code     : \n# method   : U-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Sigma^+   1       2     \\Pi          _                                       3.60          _              _            false\n  1       2     \\Sigma^+   2       2     \\Sigma^+     _                                       6.21          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.02          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.29          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.76          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.46          _              _            false\n",
 "/QUESTDB_website/data/abs/naphthalene_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Naphthalene\n# Comment  : \n# code     : \n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.33          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.79          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.56          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.85          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.88          _              _            true\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{R};\\pi \\rightarrow 3p)         5.98          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{R};\\pi \\rightarrow 3p)         5.95          _              _            false\n  1       1     A_g        2       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.08          _              _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{R};\\pi \\rightarrow 3s)         6.26          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.35          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.46          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.12          _              _            true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.11          _              _            true\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.43          _              _            true\n  1       1     A_g        2       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.62          _              _            true\n  1       1     A_g        2       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.82          _              _            true\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.46          _              _            true\n  1       1     A_g        2       3     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.15          _              _            true\n  1       1     A_g        2       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.37          _              _            true\n",
 "/QUESTDB_website/data/abs/ch3_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{CH3}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A_2^{\\prime\\prime} 1       2     A_1^\\prime   _                                       5.85          _              _            false\n  1       2     A_2^{\\prime\\prime} 1       2     E^\\prime     _                                       6.96          _              _            false\n  1       2     A_2^{\\prime\\prime} 2       2     E^\\prime     _                                       7.18          _              _            false\n  1       2     A_2^{\\prime\\prime} 2       2     A_2^{\\prime\\prime} _                                       7.65          _              _            false\n",
 "/QUESTDB_website/data/abs/ph2_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{PH2}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_1        1       2     A_1          _                                       2.77          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : MRCC\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.16          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.33          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.74          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            13.01         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            12.98         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.09         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.40         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.25          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.77          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.36          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.14          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_CC2_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.03          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.30          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.80          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.50          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Formamide\n# Comment  : \n# code     : MRCC\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.66          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s)           6.83          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.44          _              _            true\n  1       1     A^\\prime   4       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3p)           7.65          _              _            true\n",
 "/QUESTDB_website/data/abs/butadiene_CC3_aug-cc-pVDZ.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\pi \\rightarrow \\pi^\\star)             6.25          _              _            false\n  1       1     A_g        1       1     B_g          (\\pi \\rightarrow 3s)                    6.26          _              _            false\n  1       1     A_g        2       1     A_g          (\\pi \\rightarrow \\pi^\\star)             6.68          _              _            false\n  1       1     A_g        1       1     A_u          (\\pi \\rightarrow 3p)                    6.57          _              _            false\n  1       1     A_g        2       1     A_u          (\\pi \\rightarrow 3p)                    6.73          _              _            false\n  1       1     A_g        2       1     B_u          (\\pi \\rightarrow 3p)                    7.86          _              _            false\n  1       1     A_g        1       3     B_u          (\\pi \\rightarrow \\pi^\\star)             3.36          _              _            false\n  1       1     A_g        1       3     A_g          (\\pi \\rightarrow \\pi^\\star)             5.21          _              _            false\n  1       1     A_g        1       3     B_g          (\\pi \\rightarrow 3s)                    6.20          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : MRCC\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.56          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.56          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.09          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.26          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.98          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.62          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_TBE(Full)_CBS.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : MRCC\n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.86          94.3           0.056        false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.81          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Propynal\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.86          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.57          _              _            false\n",
 "/QUESTDB_website/data/abs/maleimide_CC3_aug-cc-pVTZ.dat": "# Molecule : Maleimide\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.78          87.6           0.000        false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.51          85.9           _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.86          88.2           0.025        false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.18          89.1           0.373        false\n  1       1     A_1        3       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.19          89.1           0.034        false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.56          96.3           _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.73          98.4           _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.25          96.9           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.31          96.1           _            false\n",
 "/QUESTDB_website/data/abs/ketene_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.87          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.99          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.20          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.78          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.60          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.80          _              _            false\n  1       1     A_1        2       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.17          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.26          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.97          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CCSD_aug-cc-pVTZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : MRCC\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.59          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.99          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.12         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            11.22         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.75         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.96         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.36          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.34          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.23          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.81          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.71         _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.21          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.81          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_CC3_aug-cc-pVDZ.dat": "# Molecule : Propynal\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.85          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             5.59          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.50          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             4.40          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_SC-NEVPT2_6-31+G(d)_double.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi,\\pi)           6.83          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CC3_6-31+G(d).dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               2.94          _              _            false\n  1       1     A_g        1       1     B_g          (n \\rightarrow \\pi^\\star)               4.34          _              _            false\n  1       1     A_g        2       1     A_g          (n,n  \\rightarrow \\pi^\\star,\\pi^\\star)  6.74          _              _            true\n  1       1     A_g        2       1     B_g          (n \\rightarrow \\pi^\\star)               6.81          _              _            false\n  1       1     A_g        1       1     B_u          (n \\rightarrow 3p)                      7.72          _              _            false\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               2.55          _              _            false\n  1       1     A_g        1       3     B_g          (n \\rightarrow \\pi^\\star)               3.97          _              _            false\n  1       1     A_g        1       3     B_u          (\\pi \\rightarrow \\pi^\\star)             5.22          _              _            false\n  1       1     A_g        1       3     A_g          (\\pi \\rightarrow \\pi^\\star)             6.35          _              _            false\n",
 "/QUESTDB_website/data/abs/nco_RO-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{NCO}\n# Comment  : \n# code     : \n# method   : RO-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Pi        1       2     \\Sigma^+     _                                       2.86          _              _            false\n  1       2     \\Pi        2       2     \\Pi          _                                       4.81          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_TBE(Full)_CBS.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.20          89.3           _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.99          92.3           0.012        false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.34          90.8           0.178        false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.94          97.7           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.44          98.9           _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.76          97.6           _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CC3_6-31+G(d)_double.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   6.74          0              _            false\n",
 "/QUESTDB_website/data/abs/cf2_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 4.94          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.54          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.53          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : MRCC\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.99          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.61          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_CC3_aug-cc-pV5Z.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.48          _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_exp.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    6.15          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.21          _              _            false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_TBE(Full)_CBS.dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.73          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.98          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.54          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.03          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.46          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.81          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.88          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.47          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.79          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.33          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          6.43          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          6.41          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.10          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.62          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.90          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.28          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.84          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               2.53          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 4s)                      5.54          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.91          _              _            false\n  1       1     A_1        3       1     A_1          (n \\rightarrow 4p)                      6.60          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.46          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.31          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.95          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.11          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{R};n \\rightarrow 3s)           6.99          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.11          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.78          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.33          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{R};n \\rightarrow 3p)           7.58          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.95          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.53          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.53          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.31          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.42          _              _            false\n  1       1     A_g        2       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.43          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.82          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.77          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.47          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.07          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_CCSDTQ_aug-cc-pVTZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : CCSDTQ,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.12          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.78          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : SOS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 4.04          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.52          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.28          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.01          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.04          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.28          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.39          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.85          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.24          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.34          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.76          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.66          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.81          _              _            false\n",
 "/QUESTDB_website/data/abs/allyl_RO-CC3_aug-cc-pVTZ.dat": "# Molecule : Allyl\n# Comment  : \n# code     : \n# method   : RO-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A_2        1       2     B_1          _                                       3.44          _              _            false\n  1       2     A_2        1       2     A_1          _                                       4.95          _              _            false\n",
 "/QUESTDB_website/data/abs/furan_TBE_aug-cc-pVTZ.dat": "# Molecule : Furan\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.09          93.8           _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.37          93.0           0.163        false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.56          92.4           0.000        false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.64          93.9           0.038        false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.81          93.6           _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.24          93.5           0.008        false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.20          98.4           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.46          98.1           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.02          97.9           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.59          97.9           _            false\n",
 "/QUESTDB_website/data/abs/butadiene_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.02          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.12          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.86          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.44          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.59          _              _            false\n  1       1     A_g        2       1     B_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.46          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.09          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.94          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.06          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_CC3_aug-cc-pVDZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     _                                       5.92          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       _                                       6.17          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     _                                       4.43          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       _                                       5.28          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               2.88          _              _            false\n  1       1     A_g        1       1     B_g          (n \\rightarrow \\pi^\\star)               4.25          _              _            false\n  1       1     A_g        2       1     A_g          (n,n  \\rightarrow \\pi^\\star,\\pi^\\star)  6.35          _              _            true\n  1       1     A_g        2       1     B_g          (n \\rightarrow \\pi^\\star)               6.61          _              _            false\n  1       1     A_g        1       1     B_u          (n \\rightarrow 3p)                      7.69          _              _            false\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               2.49          _              _            false\n  1       1     A_g        1       3     B_g          (n \\rightarrow \\pi^\\star)               3.89          _              _            false\n  1       1     A_g        1       3     B_u          (\\pi \\rightarrow \\pi^\\star)             5.15          _              _            false\n  1       1     A_g        1       3     A_g          (\\pi \\rightarrow \\pi^\\star)             6.30          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_FCI_6-31+G(d).dat": "# Molecule : Propynal\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.84          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             5.64          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.54          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             4.44          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_CC3_aug-cc-pVDZ.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               3.47          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               3.42          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             4.66          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3s)                      5.23          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.52          _              _            false\n  1       1     A_1        3       1     B_2          (n \\rightarrow 3p)                      5.86          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.34          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               3.30          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.03          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.09          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   _                                       5.34          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     _                                       5.60          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   _                                       4.09          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     _                                       4.80          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_CC3(Full)_aug-cc-pCVQZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pCVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.94          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_FCI_aug-cc-pVDZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.62          _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.43          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.97          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.62          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CC3_aug-cc-pVDZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 4p)                      6.29          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow 4s)                      6.10          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 4p)                      5.91          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 4s)                      5.75          _              _            false\n",
 "/QUESTDB_website/data/abs/vinyl_U-CCSD_aug-cc-pVTZ.dat": "# Molecule : Vinyl\n# Comment  : \n# code     : \n# method   : U-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A^{\\prime\\prime}   2       2     A^{\\prime\\prime} _                                       3.51          _              _            false\n  1       2     A^{\\prime\\prime}   3       2     A^{\\prime\\prime} _                                       4.91          _              _            false\n  1       2     A^{\\prime\\prime}   1       2     A^\\prime     _                                       6.38          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridazine_CCSDT_6-31+G(d).dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               3.95          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               4.48          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.32          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow \\pi^\\star)               5.86          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.27          _              _            false\n  1       1     A_1        2       1     B_1          (n \\rightarrow \\pi^\\star)               6.51          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.97          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               3.26          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               4.19          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.36          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.94          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.01          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.65          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.84          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.46          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          6.56          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          6.47          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.28          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.73          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.99          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.45          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.42          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_exp.dat": "# Molecule : Formamide\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.8           _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (n \\rightarrow 3s)                      6.35          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             7.37          _              _            true\n  1       1     A^\\prime   4       1     A^\\prime     (n \\rightarrow 3p)                      7.73          _              _            true\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.2           _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             6            _              _            true\n",
 "/QUESTDB_website/data/abs/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.36          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.81          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.99          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.11          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.14          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.71          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         7.02          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_MS-CASPT2_6-31+G(d)_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : MS-CASPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     2       1     A_{1g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 11.08         _              _            false\n",
 "/QUESTDB_website/data/abs/maleimide_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Maleimide\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.15          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.87          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.32          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.53          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.58          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.87          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.88          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.58          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.58          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_CC3_aug-cc-pVDZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.03          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.65          _              _            false\n",
 "/QUESTDB_website/data/abs/beh_U-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{BeH}\n# Comment  : \n# code     : \n# method   : U-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Sigma^+     1       2     \\Pi          _                                       2.50          _              _            false\n  1       2     \\Sigma^+     2       2     \\Pi          _                                       6.46          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CCSDTQ_6-31+G(d).dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.43          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.10         _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.47         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            13.23         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.28         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.48         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.79         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.70          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.08          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.99          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.77          _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_CC3_aug-cc-pVTZ.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime    1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.31          _              _            false\n  1       1     A^\\prime    1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.95          _              _            false\n",
 "/QUESTDB_website/data/abs/diazirine_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Diazirine\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.28          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 7.74          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           7.94          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.91          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.63          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.55          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.44          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           6.97          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Acetone\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.49          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.50          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          7.51          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          7.55          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          7.65          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.12          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.88          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow 3s)                      5.86          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    7.09          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.78          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.61          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3s)                      5.66          _              _            false\n  1       1     A_1        2       3     A_2          (\\pi \\rightarrow 3p)                    7.05          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     _                                       5.91          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       _                                       6.17          _              _            false\n",
 "/QUESTDB_website/data/abs/benzoquinone_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Benzoquinone\n# Comment  : \n# code     : \n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.82          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.98          _              _            false\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.51          _              _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.44          _              _            true\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.58          _              _            true\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.62          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.17          _              _            true\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.26          _              _            true\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.16          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.53          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.70          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.05          _              _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.35          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.21          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.63          _              _            false\n  1       1     A_g        2       1     B_g          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.22          _              _            false\n  1       1     A_g        1       1     B_u          (\\mathrm{R};n \\rightarrow 3p)           7.78          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.84          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.24          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.40          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.42          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_CCSDTQ_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : CCSDTQ,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.84          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.46          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.21          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_PC-NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.37         _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.84          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           6.08          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.29          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.82          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.53          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.91          _              _            false\n  1       1     A_1        2       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.32          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.03          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.63          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.83          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.12          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.55          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.23          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Propynal\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.95          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.79          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.55          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.65          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_exp.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             5.26          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    5.68          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             3.10          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             $>$           _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : MRCC\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.35          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.89          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.02          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_TBE(Full)_CBS.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : MRCC\n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.21          90.7           0.003        false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.64          98.1           _            false\n",
 "/QUESTDB_website/data/abs/cf2_CCSDT_aug-cc-pVTZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.06          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.75          _              _            false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.77          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.10          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.77          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.14          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.41          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.05          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.01          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.22          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.56          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.83          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.18          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.11          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.87          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.55          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.31          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.92          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.54          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.85          _              _            true\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.96          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.51          _              _            false\n  1       1     A_g        2       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.62          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.94          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_CC3_aug-cc-pVTZ.dat": "# Molecule : Formamide\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.66          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (n \\rightarrow 3s)                      6.74          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             7.62          _              _            true\n  1       1     A^\\prime   4       1     A^\\prime     (n \\rightarrow 3p)                      7.40          _              _            true\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.38          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.82          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CC3_t-aug-cc-pVQZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : Dalton\n# method   : CC3,t-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3s)                      6.61          _              _            false\n  1       1     A_1        1       1     E            (n \\rightarrow 3p)                      8.16          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      8.60          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 4s)                      9.15          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3s)                      6.33          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_exp.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     _                                       4.77          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       _                                       5.48          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_CASPT2_6-31+G(d)_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : CASPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.13          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.86          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.91          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_PC-NEVPT2_6-31+G(d)_double.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.66          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridazine_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.83          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.43          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.31          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.78          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.18          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.48          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.16          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.12          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.76          _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_CC3_aug-cc-pVTZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.31          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.03          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c3_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C3\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.87          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.70          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.14          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.60          _              _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.66          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R};\\pi \\rightarrow 3p)         5.81          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.65          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.26          _              _            false\n",
 "/QUESTDB_website/data/abs/water_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Water\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           7.38          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           9.08          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3s)           9.74          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3s)           7.07          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3p)           8.97          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R};n \\rightarrow 3s)           9.39          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienone_CC3_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienone\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.94          88.5           _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.54          91.2           0.004        false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};double)                     6.12          3.1            0.000        true\n  1       1     A_1        2       1     A_1          (\\mathrm{V};double)                     7.10          49.9           0.131        true\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.21          73.6           0.090        true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.28          98.0           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.64          96.9           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.19          98.2           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};double)                     6.05          10.0           _            true\n",
 "/QUESTDB_website/data/abs/pyridazine_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.12          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.84          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.51          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.62          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.83          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.39          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.50          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.64          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.75          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.18          _              _            false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.97          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.28          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.82          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.33          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.55          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.21          _              _            false\n",
 "/QUESTDB_website/data/abs/naphthalene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Naphthalene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.13          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.74          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.69          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.93          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.81          _              _            true\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{R};\\pi \\rightarrow 3p)         6.11          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{R};\\pi \\rightarrow 3p)         6.10          _              _            false\n  1       1     A_g        2       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.07          _              _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{R};\\pi \\rightarrow 3s)         6.31          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.28          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.45          _              _            false\n  1       1     A_g        3       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.13          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.22          _              _            true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.13          _              _            true\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.47          _              _            true\n  1       1     A_g        2       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.62          _              _            true\n  1       1     A_g        2       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.95          _              _            true\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.42          _              _            true\n  1       1     A_g        2       3     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.27          _              _            true\n  1       1     A_g        2       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.53          _              _            true\n",
 "/QUESTDB_website/data/abs/maleimide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Maleimide\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.04          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.74          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.20          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.40          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.39          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.85          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.92          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.59          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.55          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_CC3_aug-cc-pVDZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             7.21          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             7.51          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\pi \\rightarrow \\pi^\\star)             5.48          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             6.46          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             7.13          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_FCI_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.14          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    5.54          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.90          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow \\pi^\\star)             2.8           _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.05          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3s)                    5.35          _              _            false\n  1       1     A_1        2       3     A_1          (\\pi \\rightarrow 3p)                    6.82          _              _            false\n",
 "/QUESTDB_website/data/abs/water_CCSD_aug-cc-pVTZ.dat": "# Molecule : Water\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.60          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          9.36          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.96          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.20          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; n \\rightarrow 3p)          9.20          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.49          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CC3_aug-cc-pVQZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\pi \\rightarrow 3s)                    7.38          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             7.90          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\pi \\rightarrow 3p)                    8.04          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.54          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\pi \\rightarrow 3s)                    7.27          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\pi \\rightarrow 3p)                    8.00          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_CC3_aug-cc-pVTZ.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.24          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.98          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.01          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.25          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.32          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.83          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.53          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.21          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.46          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.92          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_CASPT2_aug-cc-pVTZ_double.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVTZ\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi\\rightarrow \\pi^\\star,\\pi^\\star) 5.58          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_TBE_aug-cc-pVTZ.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.33          94.4           _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.61          94.1           _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.10          98.5           _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.78          98.2           _            false\n",
 "/QUESTDB_website/data/abs/h2po_RO-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{H2PO}\n# Comment  : \n# code     : \n# method   : RO-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A^\\prime   1       2     A^{\\prime\\prime} _                                       2.91          _              _            false\n  1       2     A^\\prime   2       2     A^\\prime     _                                       4.27          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.57          _              _            false\n",
 "/QUESTDB_website/data/abs/cf2_CC3_aug-cc-pVQZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.06          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.77          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.55          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.29          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.61          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_XMS-CASPT2_aug-cc-pVTZ_double.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : XMS-CASPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.07          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_PC-NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.12          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.42          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_SC-NEVPT2_6-31+G(d)_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.57         _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_CCSDTQ_6-31+G(d).dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.70          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.47          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.11          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.42          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : MRCC\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 4p)           6.23          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 4s)           6.28          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.79          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.49          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 4s)          5.56          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.70          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 4p)          6.48          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 4p)          6.56          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.23          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.34          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.55          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.65          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.03          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.21          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.28          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.53          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         7.37          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.39          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.66          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.90          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   _                                       5.35          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     _                                       5.62          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     _                                       4.79          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.41          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.65          _              _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.95          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R};\\pi \\rightarrow 3p)         6.09          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.83          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.36          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CC3(Full)_t-aug-cc-pVQZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),t-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 4p)                      6.14          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow 4s)                      6.27          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 4p)                      5.79          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 4s)                      5.92          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.05          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.94          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.98          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.77          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.07          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.71          _              _            false\n",
 "/QUESTDB_website/data/abs/maleimide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Maleimide\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.78          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.49          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.95          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.18          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.19          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.61          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.80          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.38          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.32          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_TBE(Full)_CBS.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.49          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.06          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.28          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.59          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.35          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.59          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          6.98          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          7.02          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.29          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.45          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.13          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.49          _              _            false\n  1       1     A_g        2       1     B_g          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.20          _              _            false\n  1       1     A_g        1       1     B_u          (\\mathrm{R};n \\rightarrow 3p)           7.80          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.76          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.11          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.32          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.35          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.85          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.15          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.44          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CC3_aug-cc-pVQZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               3.97          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      7.23          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3p)                      8.10          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      8.22          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 3p)                      8.60          _              _            false\n  1       1     A_1        1       1     B_1          (\\sigma \\rightarrow \\pi^\\star)          9.19          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             9.46          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.58          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.06          _              _            false\n  1       1     A_1        1       3     B_2          (n \\rightarrow 3s)                      7.08          _              _            false\n  1       1     A_1        2       3     B_2          (n \\rightarrow 3p)                      7.95          _              _            false\n  1       1     A_1        2       3     A_1          (n \\rightarrow 3p)                      8.12          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3d)                      8.42          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_SC-NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.01          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_TBE_aug-cc-pVTZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : MRCC\n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 4p)           6.18          94.6           _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 4s)           6.24          94.3           0.063        false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 4p)           5.81          98.7           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 4s)           5.88          98.4           _            false\n",
 "/QUESTDB_website/data/abs/f2bs_U-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{F2BS}\n# Comment  : \n# code     : \n# method   : U-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_2        1       2     B_1          _                                       0.51          _              _            false\n  1       2     B_2        1       2     A_1          _                                       3.03          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.68          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.64          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         5.95          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.57          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.63          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.74          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.04          _              _            true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.38          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.15          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         5.89          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.52          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : MRCC\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 4p)           6.38          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 4s)           6.33          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 4p)           5.94          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 4s)           5.99          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_CC3(Full)_aug-cc-pCVQZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pCVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.57          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.33          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.19          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.26          _              _            false\n",
 "/QUESTDB_website/data/abs/furan_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Furan\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.09          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.37          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.65          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.64          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.81          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.70          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.18          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CC3_aug-cc-pVDZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\pi \\rightarrow 3s)                    7.29          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             7.94          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\pi \\rightarrow 3p)                    7.97          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.53          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\pi \\rightarrow 3s)                    7.17          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\pi \\rightarrow 3p)                    7.93          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CCSDT_6-31+G(d)_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   11.10         _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               2.26          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 4s)                      5.82          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.51          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               1.96          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             3.44          _              _            false\n  1       1     A_1        1       3     B_2          (n \\rightarrow 4s)                      5.65          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : MRCC\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.55          _              _            false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           8.14          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           9.33          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 4s)           9.98          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.31          _              _            false\n",
 "/QUESTDB_website/data/abs/cf2_SCS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : SCS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.13          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.79          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_TBE(Full)_CBS.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : MRCC\n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 4p)           6.10          94.6           _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 4s)           6.29          94.3           0.063        false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 4p)           5.74          98.7           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 4s)           5.94          98.4           _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CASPT2_aug-cc-pVQZ_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.26         _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_FCI_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.98          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               4.24          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               5.55          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.31          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.53          _              _            false\n  1       1     A_1        3       1     B_2          (n \\rightarrow 3p)                      6.95          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      6.99          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             8.26          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               3.93          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.88          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               5.35          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.79          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Propynal\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.00          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.93          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.68          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.63          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_CC3_aug-cc-pVQZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             7.09          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             7.41          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\pi \\rightarrow \\pi^\\star)             5.53          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             6.40          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             7.07          _              _            false\n",
 "/QUESTDB_website/data/abs/triazine_CCSDT_6-31+G(d).dat": "# Molecule : Triazine\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.84          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.84          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.89          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\pi \\rightarrow \\pi^\\star)             5.80          _              _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\pi \\rightarrow \\pi^\\star)             7.45          _              _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (n \\rightarrow 3s)                      7.41          _              _            false\n  1       1     A_1^\\prime 2       1     E^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               7.86          _              _            false\n  1       1     A_1^\\prime 2       1     E^\\prime     (\\pi \\rightarrow \\pi^\\star)             8.13          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.40          _              _            false\n  1       1     A_1^\\prime 1       3     E^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.59          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^\\prime   (\\pi \\rightarrow \\pi^\\star)             4.85          _              _            false\n  1       1     A_1^\\prime 1       3     E^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.68          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^\\prime   (\\pi \\rightarrow \\pi^\\star)             6.84          _              _            false\n",
 "/QUESTDB_website/data/abs/f2bs_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{F2BS}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_2        1       2     B_1          _                                       0.51          _              _            false\n  1       2     B_2        1       2     A_1          _                                       2.99          _              _            false\n",
 "/QUESTDB_website/data/abs/ch_U-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{CH}\n# Comment  : \n# code     : \n# method   : U-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Pi        1       2     \\Delta       _                                       3.18          _              _            false\n  1       2     \\Pi        1       2     \\Sigma^-     _                                       4.58          _              _            false\n  1       2     \\Pi        1       2     \\Sigma^+     _                                       5.47          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_CIS(D\u221e)_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : CIS(D\u221e),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.11          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           6.03          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.18          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.92          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.67          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.85          _              _            false\n  1       1     A_1        2       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.15          _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.31          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.95          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_CC2_aug-cc-pVTZ.dat": "# Molecule : Pyridine\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.99          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.32          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.28          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.24          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          6.68          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.79          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.37          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.34          _              _            false\n  1       1     A_1        4       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.45          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.53          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.48          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.98          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.29          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.24          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.39          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_PC-NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.25          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.99          _              _            false\n",
 "/QUESTDB_website/data/abs/cf2_CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.09          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.70          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.16          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.53          _              _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.77          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R};\\pi \\rightarrow 3p)         5.91          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.85          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.45          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_SC-NEVPT2_6-31+G(d)_double.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   8.27          _              _            false\n  1       1     A_g        3       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 9.16          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.42          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.59          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.72          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.29          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.36          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          5.89          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.26          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.46          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.04          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.94          _              _            false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_CC3_aug-cc-pVTZ.dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.74          _              0.002        false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.50          _              0.026        false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.02          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.03          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.45          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.81          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Propynal\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.09          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.86          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.72          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.68          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.08          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.74          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienethione_CCSD_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienethione\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.84          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.92          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.11          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.47          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.78          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.26          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.31          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.59          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.38          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.61          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          7.06          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_CC2_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.52          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.66          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.26          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.30          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.42          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.86          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.42          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.36          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.62          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.22          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.86          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.47          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : MRCC\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.35          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.89          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.31         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            13.06         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.27         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.16         _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_SC-NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.21          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.99          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_CC3_aug-cc-pVQZ.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             7.13          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             5.49          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.82          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.01          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.96          _              _            false\n",
 "/QUESTDB_website/data/abs/benzoquinone_TBE_aug-cc-pVTZ.dat": "# Molecule : Benzoquinone\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.82          85.3           _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.96          84.1           _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};double)                     4.57          0.0            _            true\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.58          88.6           _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.62          88.4           0.471        true\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.79          79.8           0.001        true\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.95          76.2           _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.35          74.8           _            true\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.38          83.5           _            true\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.22          86.6           _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.58          96.0           _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.72          95.6           _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.12          97.7           _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.46          97.9           _            false\n",
 "/QUESTDB_website/data/abs/diazirine_CC3_aug-cc-pVTZ.dat": "# Molecule : Diazirine\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.11          92.5           0.002        false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 7.31          90.9           _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           7.45          93.5           0.000        false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.04          93.8           0.132        false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.51          98.2           _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.05          98.8           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.13          98.3           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           6.83          98.4           _            false\n",
 "/QUESTDB_website/data/abs/hpo_CC3_aug-cc-pVDZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.47          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_TBE_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.10          96.5           _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.44          93.3           _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.53          99.2           _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.40          99.0           _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.08          98.8           _            false\n",
 "/QUESTDB_website/data/abs/diazirine_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Diazirine\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.12          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 7.33          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           7.47          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.05          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_CC3_6-31+G(d).dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.14          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.88          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_SC-NEVPT2_6-31+G(d)_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     E_{2g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.62          _              _            false\n  1       1     A_{1g}     2       1     A_{1g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 10.63         _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.43          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.51          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.69          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.34          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.48          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          5.93          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.68          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.95          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.44          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.13          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_CC3(Full)_aug-cc-pCVQZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pCVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.53          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.07          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.48          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.86          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.82          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.02          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.34          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.80          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.98          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.95          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : MRCC\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.05          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.44          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.97          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.85          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.53          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.27          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_CCSDT_aug-cc-pVTZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.88          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.47          _              _            false\n",
 "/QUESTDB_website/data/abs/octatetraene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Octatetraene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.62          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.08          _              _            true\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.52          _              _            true\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.71          _              _            true\n",
 "/QUESTDB_website/data/abs/cyclopropenone_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : MOLPRO\n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               4.04          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               5.85          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.51          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.82          _              _            false\n  1       1     A_1        3       1     B_2          (n \\rightarrow 3p)                      7.07          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      7.28          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             8.19          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               3.51          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             5.10          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               5.60          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             7.16          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_CASPT2_aug-cc-pVQZ_double.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.68          _              _            false\n  1       1     A_g        1       1     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 5.85          _              _            false\n  1       1     A_g        1       3     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 5.39          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacrolein_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Thioacrolein\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.36          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.10          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : MRCC\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 4p)           6.21          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 4s)           6.26          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 4p)           5.79          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 4s)           5.88          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridazine_CC3_aug-cc-pVDZ.dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               3.86          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               4.39          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.33          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow \\pi^\\star)               5.80          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.06          _              _            false\n  1       1     A_1        2       1     B_1          (n \\rightarrow \\pi^\\star)               6.41          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.79          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               3.20          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               4.11          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.39          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.87          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : MRCC\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 4p)           6.25          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 4s)           6.29          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_CCSDT_6-31+G(d).dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               4.57          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               4.99          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             5.44          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow \\pi^\\star)               6.06          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3s)                      6.80          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             7.09          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               4.20          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.52          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               4.76          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             5.08          _              _            false\n",
 "/QUESTDB_website/data/abs/bef_RO-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{BeF}\n# Comment  : \n# code     : \n# method   : RO-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Sigma^+   1       2     \\Pi          _                                       4.15          _              _            false\n  1       2     \\Sigma^+   2       2     \\Sigma^+     _                                       6.21          _              _            false\n",
 "/QUESTDB_website/data/abs/hco_RO-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCO}\n# Comment  : \n# code     : \n# method   : RO-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A^\\prime   1       2     A^{\\prime\\prime} _                                       2.13          _              _            false\n  1       2     A^\\prime   2       2     A^\\prime     _                                       5.53          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienethione_CC3_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienethione\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.71          87.2           _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.62          85.3           0.000        false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};double)                     4.40          1.1            0.000        true\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.94          89.2           0.378        false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};double)                     5.89          51.7           0.003        true\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.47          97.0           _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.88          97.1           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.52          98.1           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};double)                     4.39          4.2            _            true\n",
 "/QUESTDB_website/data/abs/hps_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.59          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.92          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.52          _              _            false\n",
 "/QUESTDB_website/data/abs/f2bo_RO-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{F2BO}\n# Comment  : \n# code     : \n# method   : RO-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_2        1       2     B_1          _                                       0.73          _              _            false\n  1       2     B_2        1       2     A_1          _                                       2.83          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_CCSDT_6-31+G(d).dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   _                                       6.63          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     _                                       6.89          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   _                                       4.92          _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.50          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.13          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c3_CC2_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C3\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.92          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.57          _              _            false\n",
 "/QUESTDB_website/data/abs/h2po_RO-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{H2PO}\n# Comment  : \n# code     : \n# method   : RO-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A^\\prime   1       2     A^{\\prime\\prime} _                                       2.83          _              _            false\n  1       2     A^\\prime   2       2     A^\\prime     _                                       4.23          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_CCSDTQP_6-31+G(d).dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : CCSDTQP,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.58          _              _            false\n",
 "/QUESTDB_website/data/abs/maleimide_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Maleimide\n# Comment  : \n# code     : \n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.81          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.55          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.85          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.16          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.26          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.39          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.82          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.22          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.29          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c5_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C5\n# Comment  : \n# code     : \n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.54          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.25          _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : MRCC\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime    1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.24          _              _            false\n  1       1     A^\\prime    1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.83          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.27          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.54          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.21          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.58          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          6.88          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          6.88          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.13          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.95          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.85          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.32          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.73          _              _            false\n",
 "/QUESTDB_website/data/abs/oh_U-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{OH}\n# Comment  : \n# code     : \n# method   : U-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Pi        1       2     \\Sigma^+     _                                       4.14          _              _            false\n  1       2     \\Pi        1       2     \\Sigma^-     _                                       7.75          _              _            false\n",
 "/QUESTDB_website/data/abs/triazine_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Triazine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.71          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.84          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.80          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.80          _              _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.98          _              _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          7.29          _              _            false\n  1       1     A_1^\\prime 2       1     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.77          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.32          _              _            false\n  1       1     A_1^\\prime 1       3     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.50          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.56          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.04          _              _            false\n  1       1     A_1^\\prime 1       3     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.57          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.45          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.61          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_CC3_6-31+G(d)_double.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi,\\pi)           6.73          74             _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_FCI_6-31+G(d).dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             4.32          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3p)                    5.92          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow  \\pi^\\star)            6.20          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             3.44          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.67          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.19          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.85          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.90          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.62          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           8.45          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.61          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           9.02          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 9.17          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.05          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.48          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.71          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.44          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{R};n \\rightarrow 3p)           8.23          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.46          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3d)           8.32          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.31          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.77          _              _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.80          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R};\\pi \\rightarrow 3p)         5.94          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.98          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.53          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.82          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.11          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.46          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.20          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_FCI_aug-cc-pVQZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (n \\rightarrow \\pi^\\star)               8.50          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\pi \\rightarrow \\pi^\\star)             9.99          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\pi \\rightarrow \\pi^\\star)             10.11         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.96         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.53         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.70         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (n \\rightarrow \\pi^\\star)               6.29          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\pi \\rightarrow \\pi^\\star)             8.49          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\pi \\rightarrow \\pi^\\star)             9.29          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\pi \\rightarrow \\pi^\\star)             9.78          _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_CC3_aug-cc-pVDZ.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    6.39          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow 3p)                    7.00          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.54          _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.38          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.89          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.46          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_SCS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : SCS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.07          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.33          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.50          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.49          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_TBE_aug-cc-pVTZ.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.28          85.4           0.011        false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.44          93.6           0.005        false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.96          93.3           _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.12          92.8           0.224        true\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.49          97.2           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.74          98.6           _            false\n",
 "/QUESTDB_website/data/abs/thioacrolein_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Thioacrolein\n# Comment  : \n# code     : \n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.14          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.85          _              _            false\n",
 "/QUESTDB_website/data/abs/imidazole_CCSD_aug-cc-pVTZ.dat": "# Molecule : Imidazole\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.81          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.59          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.58          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R}; \\pi \\rightarrow 3p)        7.02          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.68          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.77          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.77          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.40          _              _            false\n",
 "/QUESTDB_website/data/abs/nh2_RO-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{NH2}\n# Comment  : \n# code     : \n# method   : RO-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_1        1       2     A_1          _                                       2.12          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_CC3_6-31+G(d).dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.09          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.72          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_PC-NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     E_{2g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.56          _              _            false\n  1       1     A_{1g}     2       1     A_{1g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 10.18         _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.15          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.52          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_CCSDTQ_6-31+G(d).dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.66          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.75          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.06          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.31          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.06          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.97          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.94          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.69          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.39          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.21          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.85          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.52          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.65          _              _            true\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.65          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.49          _              _            false\n  1       1     A_g        2       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.56          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.59          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_TBE_aug-cc-pVTZ.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.81          89.8           0.001        false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.46          91.9           0.000        false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.44          97.6           _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.01          98.4           _            false\n",
 "/QUESTDB_website/data/abs/butadiene_CASPT2_aug-cc-pVDZ_double.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi,\\pi)           6.78          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_CASPT2_6-31+G(d)_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : CASPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.40          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.62          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CCSDT_aug-cc-pVDZ_double.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.26          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_FCI_6-31+G(d)_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.29          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.51          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.35          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.37          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.64          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.05          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.87          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_MS-CASPT2_aug-cc-pVQZ_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : MS-CASPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.34         _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_CCSDTQP_6-31+G(d).dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : CCSDTQP,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.10          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.88          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3s)                      6.48          _              _            false\n  1       1     A_1        1       1     E            (n \\rightarrow 3p)                      8.08          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      9.68          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 4s)                      10.41         _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3s)                      6.19          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_TBE(Full)_CBS.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.97          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_CC3_aug-cc-pVTZ.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.05          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.81          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 4p)           6.21          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 4s)           6.26          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 4p)           5.79          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 4s)           5.88          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : MRCC\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 4p)           6.23          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 4s)           6.31          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 4p)           5.96          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 4s)           5.98          _              _            false\n",
 "/QUESTDB_website/data/abs/triazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Triazine\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.60          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.89          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.79          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.36          _              _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.01          _              _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (\\mathrm{R};n \\rightarrow 3s)           7.33          _              _            false\n  1       1     A_1^\\prime 2       1     E^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.93          _              _            false\n  1       1     A_1^\\prime 2       1     E^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.77          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.55          _              _            false\n  1       1     A_1^\\prime 1       3     E^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.60          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.69          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^\\prime   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.04          _              _            false\n  1       1     A_1^\\prime 1       3     E^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.61          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^\\prime   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.62          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienethione_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienethione\n# Comment  : \n# code     : \n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.56          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.21          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};double)                     2.34          _              _            true\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.54          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};double)                     4.19          _              _            true\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.32          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.52          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.18          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};double)                     2.35          _              _            true\n",
 "/QUESTDB_website/data/abs/furan_CC3_aug-cc-pVQZ.dat": "# Molecule : Furan\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    6.10          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.34          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.58          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.65          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.82          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    7.13          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.22          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.49          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    6.05          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3p)                    6.61          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_TBE(Full)_CBS.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.97          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.75          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_SC-NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.14          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.48          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_CCSDTQP_6-31+G(d).dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : CCSDTQP,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.05          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.35          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.98          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [QM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.39          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Benzene\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.01          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.51          _              _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        6.65          _              _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.17          _              _            false\n  1       1     A_{1g}     1       3     E_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.88          _              _            false\n  1       1     A_{1g}     1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.78          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.67          _              _            false\n",
 "/QUESTDB_website/data/abs/furan_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Furan\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.08          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.34          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.58          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.63          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.80          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.23          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.22          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.48          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.02          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.59          _              _            false\n",
 "/QUESTDB_website/data/abs/water_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Water\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.84          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          9.63          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          10.22         _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.41          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; n \\rightarrow 3p)          9.43          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.70          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_CCSDTQ_6-31+G(d).dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             4.34          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    5.66          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3p)                    5.98          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow  \\pi^\\star)            6.17          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CC3(Full)_d-aug-cc-pVQZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\pi \\rightarrow 3s)                    7.38          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             7.93          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\pi \\rightarrow 3p)                    8.04          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.53          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\pi \\rightarrow 3s)                    7.28          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\pi \\rightarrow 3p)                    7.99          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_exp.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\pi \\rightarrow \\pi^\\star)             5.92          _              _            false\n  1       1     A_g        1       1     B_g          (\\pi \\rightarrow 3s)                    6.21          _              _            false\n  1       1     A_g        1       1     A_u          (\\pi \\rightarrow 3p)                    6.64          _              _            false\n  1       1     A_g        2       1     A_u          (\\pi \\rightarrow 3p)                    6.80          _              _            false\n  1       1     A_g        2       1     B_u          (\\pi \\rightarrow 3p)                    7.07          _              _            false\n  1       1     A_g        1       3     B_u          (\\pi \\rightarrow \\pi^\\star)             3.22          _              _            false\n  1       1     A_g        1       3     A_g          (\\pi \\rightarrow \\pi^\\star)             4.91          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_exp.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               2.8           _              _            false\n  1       1     A_g        1       1     B_g          (n \\rightarrow \\pi^\\star)               4.4           _              _            true\n  1       1     A_g        2       1     B_g          (n \\rightarrow \\pi^\\star)               7.45          _              _            false\n  1       1     A_g        1       1     B_u          (n \\rightarrow 3p)                      7.7           _              _            true\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               2.5           _              _            false\n  1       1     A_g        1       3     B_g          (n \\rightarrow \\pi^\\star)               3.8           _              _            true\n  1       1     A_g        1       3     B_u          (\\pi \\rightarrow \\pi^\\star)             5.2           _              _            true\n",
 "/QUESTDB_website/data/abs/aza-naphthalene_CC3_aug-cc-pVTZ.dat": "# Molecule : Aza-naphthalene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,cc-pVTZ \n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.11          88.5           _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.28          86.5           0.190        false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.34          88.5           _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.53          87.3           _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.86          84.1           _            false\n  1       1     A_g        2       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.13          82.6           _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.34          83.1           _            false\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.63          88.5           0.028        true\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.81          85.3           _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.89          84.8           _            false\n  1       1     A_g        3       1     A_g          (\\mathrm{R};n \\rightarrow 3s)           6.49          90.5           _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.82          96.5           _            true\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.67          97.2           _            true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.75          97.7           _            true\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.77          97.1           _            true\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.34          48.0           _            true\n  1       1     A_g        2       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.61          95.3           _            true\n  1       1     A_g        2       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.75          96.6           _            true\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.87          96.6           _            true\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CASPT2_aug-cc-pVQZ_double.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.78          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_CC3_6-31+G(d).dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.57          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : MRCC\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.88          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c5_CCSD_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C5\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.79          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.45          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CC3_6-31+G(d).dat": "# Molecule : Ammonia\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.96          _              _            false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           8.95          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           10.19         _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 4s)           11.65         _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.49          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_FCI_aug-cc-pVTZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\pi \\rightarrow 3s)                    7.40          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             $^f$          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\pi \\rightarrow 3p)                    8.07          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.54          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\pi \\rightarrow 3s)                    $^f$          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\pi \\rightarrow 3p)                    $^f$          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_CC3_aug-cc-pVDZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.53          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienone_TBE_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienone\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.94          88.5           _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.58          91.2           0.004        false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};double)                     5.02          3.1            0.000        true\n  1       1     A_1        2       1     A_1          (\\mathrm{V};double)                     6.00          49.9           0.131        true\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.09          73.6           0.090        true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.29          98.0           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.65          96.9           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.19          98.2           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};double)                     4.91          10.0           _            true\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.98          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.10          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.54          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.43          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_PC-NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   8.04          _              _            false\n  1       1     A_g        3       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 9.00          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacrolein_CC2_aug-cc-pVTZ.dat": "# Molecule : Thioacrolein\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.28          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.96          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_PC-NEVPT2_6-31+G(d)_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 14.35         _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_CCSDT_6-31+G(d).dat": "# Molecule : Methanimine\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.32          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.71          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.74          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R})                            6.25          _              _            false\n",
 "/QUESTDB_website/data/abs/oh_U-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{OH}\n# Comment  : \n# code     : \n# method   : U-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Pi        1       2     \\Sigma^+     _                                       4.13          _              _            false\n  1       2     \\Pi        1       2     \\Sigma^-     _                                       7.66          _              _            false\n",
 "/QUESTDB_website/data/abs/beh_RO-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{BeH}\n# Comment  : \n# code     : \n# method   : RO-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Sigma^+     1       2     \\Pi          _                                       2.50          _              _            false\n  1       2     \\Sigma^+     2       2     \\Pi          _                                       6.46          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_CCSDT_6-31+G(d)_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     E_{2g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.42          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.24          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.73          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.82          _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.79         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.33         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.56         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.97          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.21          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.03          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.53          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.29         _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.86          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.94          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.48          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.60          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_CC2_aug-cc-pVTZ.dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.41          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.77          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.54          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.96          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.25          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.20          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.84          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.07          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.77          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.60          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.17          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.96          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.60          _              _            false\n",
 "/QUESTDB_website/data/abs/beh_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{BeH}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Sigma^+     1       2     \\Pi          _                                       2.49          _              _            false\n  1       2     \\Sigma^+     2       2     \\Pi          _                                       6.46          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_SC-NEVPT2_6-31+G(d)_double.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.94          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.83          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.06          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.11          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_CCSDT_aug-cc-pVQZ_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.57          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.87          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : MRCC\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.58          _              _            false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           8.15          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           9.32          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 4s)           9.95          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_PC-NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 7.84          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 4.01          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.51          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.29          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.92          _              _            false\n  1       1     A_{1g}     1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.95          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.59          _              _            false\n  1       1     A_{1g}     1       3     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.19          _              _            false\n  1       1     A_{1g}     1       3     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.91          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_FCI_aug-cc-pVQZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 4p)                      6.15          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow 4s)                      6.29          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 4p)                      5.79          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 4s)                      5.93          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.97          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.18          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           8.07          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.18          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           8.64          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 9.19          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.48          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.57          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.05          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.03          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.92          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.08          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3d)           8.41          _              _            false\n",
 "/QUESTDB_website/data/abs/triazine_CC3_aug-cc-pVQZ.dat": "# Molecule : Triazine\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.74          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.74          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.79          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\pi \\rightarrow \\pi^\\star)             5.78          _              _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\pi \\rightarrow \\pi^\\star)             7.23          _              _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (n \\rightarrow 3s)                      7.39          _              _            false\n  1       1     A_1^\\prime 2       1     E^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               7.78          _              _            false\n  1       1     A_1^\\prime 2       1     E^\\prime     (\\pi \\rightarrow \\pi^\\star)             7.92          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.34          _              _            false\n  1       1     A_1^\\prime 1       3     E^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.51          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.76          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^\\prime   (\\pi \\rightarrow \\pi^\\star)             4.89          _              _            false\n  1       1     A_1^\\prime 1       3     E^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.61          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^\\prime   (\\pi \\rightarrow \\pi^\\star)             6.62          _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_TBE_aug-cc-pVTZ.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.64          87.6           0.070        false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.98          91.5           0.079        false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.14          92.6           _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.14          90.1           0.010        false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.21          91.8           _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.49          92.8           0.000        false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.29          92.4           0.082        false\n  1       1     A_1        3       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.31          86.5           0.314        true\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.92          98.2           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.76          97.7           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.93          96.6           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.08          97.5           _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_CC3_aug-cc-pVQZ.dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               4.45          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               4.87          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             5.40          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow \\pi^\\star)               5.93          _              _            false\n  1       1     A_1        2       1     B_1          (n \\rightarrow \\pi^\\star)               6.27          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3s)                      6.76          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.86          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               4.11          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.56          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               4.67          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.96          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_CC3(Full)_aug-cc-pV5Z.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.18          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.60          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_exp.dat": "# Molecule : Acetone\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               4.48          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.36          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 3p)                      7.36          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      7.41          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3p)                      7.45          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               4.15          _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.04          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.81          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_TBE(Full)_CBS.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.15          90.1           0.006        false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.99          88.6           _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.01          86.9           0.078        false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.71          85.6           _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{R}; n \\rightarrow 3s)          6.69          91.1           _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.74          84.2           _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.87          92.8           0.063        false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        7.24          93.8           _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{R}; n \\rightarrow 3p)          7.28          90.8           0.037        false\n  1       1     A_g        2       1     B_{1u}       (\\mathrm{R}; n \\rightarrow 3p)          7.47          91.4           0.128        false\n  1       1     A_g        3       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.97          90.5           0.285        true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.59          97.3           _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.36          98.5           _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.39          97.6           _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.94          96.1           _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.09          97.0           _            false\n  1       1     A_g        2       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.28          97.0           _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_CC3_aug-cc-pVDZ.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   _                                       5.44          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     _                                       5.69          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   _                                       4.06          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     _                                       4.86          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_CCSDT_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.97          _              _            false\n",
 "/QUESTDB_website/data/abs/diazirine_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Diazirine\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.28          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 7.52          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           7.51          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.03          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.70          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.29          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.44          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           6.89          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_CASPT2_aug-cc-pVDZ_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.46          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_CCSDTQ_6-31+G(d).dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.58          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_MS-CASPT2_aug-cc-pVTZ_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : MS-CASPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.21         _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_FCI_6-31+G(d).dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   _                                       6.58          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     _                                       6.87          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   _                                       4.91          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CC3_aug-cc-pVDZ_double.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.75          4              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.15          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.87          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.28          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.81          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.26          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.67          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_TBE_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.56          93.8           0.084        false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.78          94.0           _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.41          94.2           0.037        false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.46          93.8           _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.56          94.2           0.046        false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.52          78.9           0.001        true\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.31          98.4           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.11          98.6           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.73          97.9           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.36          97.9           _            false\n",
 "/QUESTDB_website/data/abs/propynal_CC3_d-aug-cc-pVQZ.dat": "# Molecule : Propynal\n# Comment  : \n# code     : CFOUR\n# method   : CC3,d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.83          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             5.50          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.50          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             4.44          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               2.90          _              _            false\n  1       1     A_g        1       1     B_g          (n \\rightarrow \\pi^\\star)               4.28          _              _            false\n  1       1     A_g        2       1     A_g          (n,n  \\rightarrow \\pi^\\star,\\pi^\\star)  6.22          _              _            true\n  1       1     A_g        2       1     B_g          (n \\rightarrow \\pi^\\star)               6.61          _              _            false\n  1       1     A_g        1       1     B_u          (n \\rightarrow 3p)                      7.56          _              _            false\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               2.49          _              _            false\n  1       1     A_g        1       3     B_g          (n \\rightarrow \\pi^\\star)               3.90          _              _            false\n  1       1     A_g        1       3     B_u          (\\pi \\rightarrow \\pi^\\star)             5.19          _              _            false\n  1       1     A_g        1       3     A_g          (\\pi \\rightarrow \\pi^\\star)             6.34          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CC3_d-aug-cc-pVTZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : Dalton\n# method   : CC3,d-aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3s)                      6.57          _              _            false\n  1       1     A_1        1       1     E            (n \\rightarrow 3p)                      8.12          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      8.56          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 4s)                      9.12          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3s)                      6.29          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_SC-NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.26         _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Ketene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.67          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.87          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.07          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.56          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.39          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.67          _              _            false\n  1       1     A_1        2       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.03          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 4p)           6.19          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 4s)           6.24          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 4p)           5.82          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 4s)           5.88          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.35          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.94          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_SC-NEVPT2_6-31+G(d)_double.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.68          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_FCI_aug-cc-pVQZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (n \\rightarrow \\pi^\\star)               9.34          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             9.92          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             10.31         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            12.89         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.1          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.2          _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.7          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\pi \\rightarrow \\pi^\\star)             7.74          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (n \\rightarrow \\pi^\\star)               8.03          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             8.88          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             9.66          _              _            false\n",
 "/QUESTDB_website/data/abs/octatetraene_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Octatetraene\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.76          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.12          _              _            true\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.59          _              _            true\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.83          _              _            true\n",
 "/QUESTDB_website/data/abs/ccl2_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.36          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.27          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 0.84          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.17          _              _            false\n",
 "/QUESTDB_website/data/abs/octatetraene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Octatetraene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.80          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.30          _              _            true\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.65          _              _            true\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.83          _              _            true\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : CFOUR\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.83          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             6.41          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.46          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.01          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_CASPT2_aug-cc-pVTZ_double.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.69          _              _            false\n  1       1     A_g        1       1     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 5.85          _              _            false\n  1       1     A_g        1       3     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 5.39          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Acetone\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.52          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.60          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           7.60          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.65          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.74          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.15          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.33          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.72          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.06          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.24          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.06          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.72          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (n \\rightarrow \\pi^\\star)               8.56          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\pi \\rightarrow \\pi^\\star)             10.06         _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\pi \\rightarrow \\pi^\\star)             10.17         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.93         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.51         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.76         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (n \\rightarrow \\pi^\\star)               6.29          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\pi \\rightarrow \\pi^\\star)             8.44          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\pi \\rightarrow \\pi^\\star)             9.34          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.42         _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.38          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           5.69          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.72          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           6.56          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           6.68          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.22          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.39          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_CC3(Full)_aug-cc-pCVQZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pCVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.59          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_SC-NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVDZ\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi\\rightarrow \\pi^\\star,\\pi^\\star) 5.69          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_CC3_aug-cc-pVDZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.60          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : SOS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.19          _              _            false\n  1       1     A^\\prime   1       3     A{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.85          _              _            false\n",
 "/QUESTDB_website/data/abs/triazine_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Triazine\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.72          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.75          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.78          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\pi \\rightarrow \\pi^\\star)             5.75          _              _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\pi \\rightarrow \\pi^\\star)             7.24          _              _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (n \\rightarrow 3s)                      7.32          _              _            false\n  1       1     A_1^\\prime 2       1     E^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               7.78          _              _            false\n  1       1     A_1^\\prime 2       1     E^\\prime     (\\pi \\rightarrow \\pi^\\star)             7.94          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_TBE(Full)_CBS.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.95          93.0           0.000        false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V};n,n \\rightarrow \\pi^\\star,\\pi^\\star) 4.69          2.5            0.000        true\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s/3p)        6.42          90.8           0.006        false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.16          98.4           _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.61          98.9           _            false\n",
 "/QUESTDB_website/data/abs/acrolein_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.74          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             6.70          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               6.72          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (n \\rightarrow 3s)                      7.00          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.45          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             3.95          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             6.21          _              _            false\n",
 "/QUESTDB_website/data/abs/water_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Water\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           7.23          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           8.95          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3s)           9.59          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3s)           6.95          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3p)           8.85          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R};n \\rightarrow 3s)           9.28          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacrolein_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Thioacrolein\n# Comment  : \n# code     : \n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.98          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.77          _              _            false\n",
 "/QUESTDB_website/data/abs/naphthalene_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Naphthalene\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.39          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.94          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.67          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.98          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.05          _              _            true\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{R};\\pi \\rightarrow 3p)         6.08          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{R};\\pi \\rightarrow 3p)         6.11          _              _            false\n  1       1     A_g        2       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.19          _              _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{R};\\pi \\rightarrow 3s)         6.37          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.44          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.54          _              _            false\n  1       1     A_g        3       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.30          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_CC3_aug-cc-pVQZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.83          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.12          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.46          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.21          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c5_TBE_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C5\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.64          85.8           1.182        false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.47          97.7           _            false\n",
 "/QUESTDB_website/data/abs/thioacrolein_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Thioacrolein\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.40          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.17          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_CC3_6-31+G(d)_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     3.10          0              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     3.23          0              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_CC3_6-31+G(d).dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.33          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.03          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CC3_6-31+G(d).dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.72          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.14          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.29          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.52          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.49          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.20          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienone_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienone\n# Comment  : \n# code     : \n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.01          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.28          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};double)                     4.37          _              _            true\n  1       1     A_1        2       1     A_1          (\\mathrm{V};double)                     4.59          _              _            true\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.50          _              _            true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.97          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.67          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.89          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};double)                     4.30          _              _            true\n",
 "/QUESTDB_website/data/abs/acetylene_CC3_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.09          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.42          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.50          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.40          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.07          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_CC2_aug-cc-pVTZ.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.14          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.86          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.14          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.86          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{R}; n \\rightarrow 3s)          6.20          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.67          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.89          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        7.21          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{R}; n \\rightarrow 3p)          6.74          _              _            false\n  1       1     A_g        2       1     B_{1u}       (\\mathrm{R}; n \\rightarrow 3p)          7.03          _              _            false\n  1       1     A_g        3       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.87          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.60          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.60          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.57          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.82          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.17          _              _            false\n  1       1     A_g        2       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.59          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CCSDTQP_aug-cc-pVDZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQP,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (n \\rightarrow \\pi^\\star)               9.41          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             10.05         _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             10.43         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            13.18         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.13         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.11         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.56         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\pi \\rightarrow \\pi^\\star)             7.70          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (n \\rightarrow \\pi^\\star)               8.05          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             8.96          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             9.75          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Benzene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.01          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.24          _              _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        6.38          _              _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        6.92          _              _            false\n  1       1     A_{1g}     1       1     E_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.00          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.94          _              _            false\n  1       1     A_{1g}     1       3     E_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.60          _              _            false\n  1       1     A_{1g}     1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.51          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_FCI_aug-cc-pVDZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.54          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.91          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           6.13          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.32          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.82          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.58          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3p)           6.00          _              _            false\n  1       1     A_1        2       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.31          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_FCI_aug-cc-pVDZ.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             7.14          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             5.47          _              _            false\n",
 "/QUESTDB_website/data/abs/no_RO-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{NO}\n# Comment  : \n# code     : \n# method   : RO-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Pi        1       2     \\Sigma^+     _                                       6.12          _              _            false\n  1       2     \\Pi        2       2     \\Sigma^+     _                                       7.28          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CC3_aug-cc-pV5Z.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               2.88          _              _            false\n  1       1     A_g        1       1     B_g          (n \\rightarrow \\pi^\\star)               4.28          _              _            false\n  1       1     A_g        2       1     A_g          (n,n  \\rightarrow \\pi^\\star,\\pi^\\star)  6.75          _              _            true\n  1       1     A_g        2       1     B_g          (n \\rightarrow \\pi^\\star)               6.59          _              _            false\n  1       1     A_g        1       1     B_u          (n \\rightarrow3p)                       7.74          _              _            false\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               2.50          _              _            false\n  1       1     A_g        1       3     B_g          (n \\rightarrow \\pi^\\star)               3.92          _              _            false\n  1       1     A_g        1       3     B_u          (\\pi \\rightarrow \\pi^\\star)             5.19          _              _            false\n  1       1     A_g        1       3     A_g          (\\pi \\rightarrow \\pi^\\star)             6.31          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.79          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.86          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.40          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.56          _              _            false\n",
 "/QUESTDB_website/data/abs/imidazole_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Imidazole\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\pi \\rightarrow 3s)                    5.60          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             6.43          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               6.42          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi \\rightarrow 3p)                    6.89          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\pi \\rightarrow 3s)                    5.56          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               6.35          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Acetone\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.51          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.91          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          6.83          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          7.04          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          6.93          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.15          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.50          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.83          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_TBE(Full)_CBS.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.55          93.8           0.084        false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.80          94.0           _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.42          94.2           0.037        false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.47          93.8           _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.55          94.2           0.046        false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.52          78.9           0.001        true\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.31          98.4           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.12          98.6           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.75          97.9           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.38          97.9           _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CC3(Full)_t-aug-cc-pVQZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),t-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.87          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_CCSDTQ_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.09          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.43          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.52          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.39          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.08          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.88          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.16          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.49          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_CCSD_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.50          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.78          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.84          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_CC3_aug-cc-pVTZ_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     6.68          1              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     7.24          1              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 4p)                      6.29          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow 4s)                      6.10          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 4p)                      5.90          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 4s)                      5.75          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.50          _              _            false\n",
 "/QUESTDB_website/data/abs/beryllium_CCSDTQ_aug-cc-pVTZ_double.dat": "# Molecule : Beryllium\n# Comment  : \n# code     : \n# method   : CCSDTQ,aug-cc-pVTZ\n# geom     : \n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     S          1       1     D            (2s,2s \\rightarrow 2p,2p)               7.15          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.99          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.40          _              _            false\n",
 "/QUESTDB_website/data/abs/furan_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Furan\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.95          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.15          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.48          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.49          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.67          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.09          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.91          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.23          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.89          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.45          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_MS-CASPT2_6-31+G(d)_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : MS-CASPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.86         _              _            false\n",
 "/QUESTDB_website/data/abs/water_CCSDTQP_aug-cc-pVDZ.dat": "# Molecule : Water\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQP,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow 3s)                      7.53          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3p)                      9.32          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3s)                      9.94          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3s)                      7.14          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3p)                      9.14          _              _            false\n  1       1     A_1        1       3     A_1          (n \\rightarrow 3s)                      9.49          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_CC3_aug-cc-pVQZ.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\sigma \\rightarrow \\pi^\\star)          6.68          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.73          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.35          _              _            false\n  1       1     A_1        1       3     B_1          (\\sigma \\rightarrow \\pi^\\star)          6.41          _              _            false\n",
 "/QUESTDB_website/data/abs/furan_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Furan\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.10          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.38          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.68          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.65          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.82          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.25          _              _            false\n",
 "/QUESTDB_website/data/abs/h2bo_U-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{H2BO}\n# Comment  : \n# code     : \n# method   : U-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_2        1       2     B_1          _                                       2.14          _              _            false\n  1       2     B_2        1       2     A_1          _                                       3.53          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.09          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.42          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.50          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.40          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.07          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.81          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_XMS-CASPT2_aug-cc-pVTZ_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : XMS-CASPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.36         _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_CC3_aug-cc-pVTZ_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.26          0              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_CCSDT_6-31+G(d).dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               2.56          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 4s)                      5.64          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.10          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 4p)                      6.59          _              _            false\n  1       1     A_1        3       1     A_1          (n \\rightarrow 4p)                      6.95          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               2.34          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             3.45          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.72          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.62          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          6.96          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.39          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.85          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.08          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_FCI_aug-cc-pVTZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.05          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_FCI_aug-cc-pVTZ_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.22          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.91          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_SC-NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.80          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_CCSDT_6-31+G(d).dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.06          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.70          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.48          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridazine_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.12          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.68          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.20          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.15          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.41          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.72          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.71          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.53          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.44          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.51          _              _            true\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.96          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_SCS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : SCS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.35          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.91          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_CC3_6-31+G(d).dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   _                                       6.62          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     _                                       6.88          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   _                                       4.92          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_CC3_aug-cc-pVQZ_double.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   6.19          1              _            false\n  1       1     A_g        1       1     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 7.60          1              _            false\n  1       1     A_g        1       3     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 7.34          6              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.36          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.08          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.15          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.44          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.15          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.41          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.12          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.06          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_FCI_aug-cc-pVDZ_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.45         _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_CC3_aug-cc-pVQZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.47          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_CC3_6-31+G(d)_double.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.21          73             _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.84          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             6.54          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.45          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.03          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.73          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.76          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.36          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.42          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_FCI_6-31+G(d)_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     E_{2g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.40          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_CC3_aug-cc-pV5Z.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.07          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.91          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.27          _              _            false\n  1       1     A_g        2       1     B_g          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.94          _              _            false\n  1       1     A_g        1       1     B_u          (\\mathrm{R};n \\rightarrow 3p)           7.51          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.57          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.92          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.19          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.24          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : MRCC\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.66          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.31         _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.85         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            13.67         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.64         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.75         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            14.52         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.20          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.33          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.30          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.29         _              _            false\n",
 "/QUESTDB_website/data/abs/octatetraene_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Octatetraene\n# Comment  : \n# code     : \n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.52          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.87          _              _            true\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.49          _              _            true\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.81          _              _            true\n",
 "/QUESTDB_website/data/abs/streptocyanine-c5_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C5\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.68          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_exp.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             7.1           _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             7.2           _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\pi \\rightarrow \\pi^\\star)             5.2           _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             6.0           _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             7.1           _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_SCS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : SCS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.53          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CCSDT_aug-cc-pVQZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3s)                      6.61          _              _            false\n  1       1     A_1        1       1     E            (n \\rightarrow 3p)                      8.17          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      9.10          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 4s)                      9.77          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3s)                      6.33          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_CCSDT_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.49          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_FCI_aug-cc-pVDZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.00          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.65          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.24          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.04          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.43          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.72          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.72          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.92          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.29          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.72          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.81          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.16          _              _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\mathrm{R};\\pi \\rightarrow 3s)         6.51          _              _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.05          _              _            false\n  1       1     A_{1g}     1       1     E_{2u}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.12          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.21          _              _            false\n  1       1     A_{1g}     1       3     E_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.83          _              _            false\n  1       1     A_{1g}     1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.81          _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    6.39          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow 3p)                    7.00          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.54          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_XMS-CASPT2_aug-cc-pVQZ_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : XMS-CASPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.20         _              _            false\n",
 "/QUESTDB_website/data/abs/cn_U-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{CN}\n# Comment  : \n# code     : \n# method   : U-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Sigma^+   1       2     \\Pi          _                                       1.56          _              _            false\n  1       2     \\Sigma^+   2       2     \\Sigma^+     _                                       3.54          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CC3_6-31+G(d)_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.82         4              _            false\n",
 "/QUESTDB_website/data/abs/nitromethyl_TBE_aug-cc-pVTZ.dat": "# Molecule : Nitromethyl\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_1        1       2     B_2          _                                       2.05          _              _            false\n  1       2     B_1        1       2     A_2          _                                       2.38          _              _            false\n  1       2     B_1        1       2     A_1          _                                       2.56          _              _            false\n  1       2     B_1        2       2     B_1           _                                       5.35          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_TBE_aug-cc-pVTZ.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : MRCC\n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.68          92.8           0.001        false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.79          95.1           0.071        false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.38          98.0           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.45          98.9           _            false\n",
 "/QUESTDB_website/data/abs/nitromethyl_U-CCSD_aug-cc-pVTZ.dat": "# Molecule : Nitromethyl\n# Comment  : \n# code     : \n# method   : U-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_1        1       2     B_2          _                                       2.47          _              _            false\n  1       2     B_1        1       2     A_2          _                                       2.71          _              _            false\n  1       2     B_1        1       2     A_1          _                                       2.94          _              _            false\n  1       2     B_1        2       2     B_1           _                                       5.59          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.63          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 4s)          5.50          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.09          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 4p)          6.44          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 4p)          6.53          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.33          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.59          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.30          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.58          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.56          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.68          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.34          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.47          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 4s)          5.72          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 4p)          6.62          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 4p)          6.76          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.25          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.22          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_PC-NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.24          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.97          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.20          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.57          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.75          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.85          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.91          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.43          _              _            false\n",
 "/QUESTDB_website/data/abs/furan_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Furan\n# Comment  : \n# code     : MOLPRO\n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    6.28          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.20          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.77          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.71          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.99          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    7.01          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.42          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.60          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    6.08          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3p)                    6.68          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [QM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.12          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CC3_d-aug-cc-pVQZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : Dalton\n# method   : CC3,d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 4p)                      6.15          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow 4s)                      6.29          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 4p)                      5.80          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 4s)                      5.93          _              _            false\n",
 "/QUESTDB_website/data/abs/triazine_TBE(Full)_CBS.dat": "# Molecule : Triazine\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.72          88.3           _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.74          88.3           0.014        false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.78          88.3           _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.75          85.7           _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.23          90.4           _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          7.36          90.9           0.016        false\n  1       1     A_1^\\prime 2       1     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   7.76          82.6           _            false\n  1       1     A_1^\\prime 2       1     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.93          90.0           0.451        false\n  1       1     A_1^\\prime 1       3     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.34          96.7           _            false\n  1       1     A_1^\\prime 1       3     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.51          96.6           _            false\n  1       1     A_1^\\prime 1       3     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.74          96.2           _            false\n  1       1     A_1^\\prime 1       3     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.86          98.2           _            false\n  1       1     A_1^\\prime 1       3     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.59          96.9           _            false\n  1       1     A_1^\\prime 1       3     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.61          97.6           _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CC3_aug-cc-pVTZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.49          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.99          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.12         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.94         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.49         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.69         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.30          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.45          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.30          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.82          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.45         _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_CCSDT_aug-cc-pVDZ_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.76          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.42          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.58          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.04          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.31          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.68          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.59          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.21          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.97          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.85          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.35          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.27          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.76          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.16          _              _            false\n  1       1     A_g        2       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.16          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.67          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CC3(Full)_d-aug-cc-pV5Z.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.87          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_FCI_aug-cc-pVDZ.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   _                                       5.47          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     _                                       5.69          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   _                                       4.07          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     _                                       4.85          _              _            false\n",
 "/QUESTDB_website/data/abs/imidazole_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Imidazole\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.71          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.41          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.50          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.75          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.67          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.74          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.33          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               2.25          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 4s)                      5.80          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.60          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               1.96          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             3.43          _              _            false\n  1       1     A_1        1       3     B_2          (n \\rightarrow 4s)                      5.63          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_CC3_aug-cc-pVTZ.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.22          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.33          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.67          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.64          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.80          _              _            false\n  1       1     A_g        2       1     B_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.68          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.36          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.20          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.28          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_TBE(Full)_CBS.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : MRCC\n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.44          95.1           0.078        false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.89          95.8           0.346        false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.09          95.3           _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.54          99.1           _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.28          98.5           _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.00          98.4           _            false\n",
 "/QUESTDB_website/data/abs/ethylene_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.39          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.88          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.04          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.44          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.26          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.95          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_CCSDT_6-31+G(d).dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.85          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.99          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.38          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.60          _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         6.69          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         7.18          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.64          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_TBE_CBS_double.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : TBE,CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          double                                  5.54          1              _            false\n",
 "/QUESTDB_website/data/abs/cno_RO-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{CNO}\n# Comment  : \n# code     : \n# method   : RO-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Sigma^+   2       2     \\Sigma^+     _                                       1.77          _              _            false\n  1       2     \\Sigma^+   1       2     \\Pi          _                                       5.51          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c3_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C3\n# Comment  : \n# code     : \n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.74          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.37          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_CCSDT_aug-cc-pVDZ_double.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.86          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_PC-NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.56          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c5_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C5\n# Comment  : \n# code     : \n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.54          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.40          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.89          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.75          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V};double)                     5.51          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R})                            6.29          _              _            false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_CCSD_aug-cc-pVTZ.dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.83          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.10          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.69          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.07          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.40          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.84          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_TBE(Full)_CBS.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.41          89.6           _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.48          84.8           0.000        false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.62          83.0           0.007        false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.40          91.8           0.048        false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.46          89.0           0.228        false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          5.94          91.3           0.084        false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.28          97.2           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.36          94.5           _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.04          96.5           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.01          98.2           _            false\n",
 "/QUESTDB_website/data/abs/aza-naphthalene_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Aza-naphthalene\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.52          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.32          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.65          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.88          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.38          _              _            false\n  1       1     A_g        2       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.87          _              _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.77          _              _            false\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.77          _              _            true\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.85          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.37          _              _            false\n  1       1     A_g        3       1     A_g          (\\mathrm{R};n \\rightarrow 3s)           6.76          _              _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.24          _              _            true\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.86          _              _            true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.97          _              _            true\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.11          _              _            true\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.71          _              _            true\n  1       1     A_g        2       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.08          _              _            true\n  1       1     A_g        2       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.94          _              _            true\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.22          _              _            true\n",
 "/QUESTDB_website/data/abs/cyclopentadienethione_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienethione\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.73          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.71          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.96          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_FCI_aug-cc-pVTZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 4p)                      6.18          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow 4s)                      6.24          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 4p)                      5.81          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 4s)                      5.89          _              _            false\n",
 "/QUESTDB_website/data/abs/cn_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{CN}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Sigma^+   1       2     \\Pi          _                                       1.34          _              _            false\n  1       2     \\Sigma^+   2       2     \\Sigma^+     _                                       3.22          _              _            false\n",
 "/QUESTDB_website/data/abs/f2bs_U-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{F2BS}\n# Comment  : \n# code     : \n# method   : U-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_2        1       2     B_1          _                                       0.48          _              _            false\n  1       2     B_2        1       2     A_1          _                                       2.94          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Acetone\n# Comment  : \n# code     : MOLPRO\n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               4.48          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.81          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 3p)                      7.65          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      7.75          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3p)                      7.91          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               4.20          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.28          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_CC3_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.23          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.91          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.48          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.94          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.38          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.72          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c3_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C3\n# Comment  : \n# code     : \n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.76          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.23          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.08          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.74          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CIS(D\u221e)_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CIS(D\u221e),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.92          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.50          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.53          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.47          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           7.99          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 9.17          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.46          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.46          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.20          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.39          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.41          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.40          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3d)           8.39          _              _            false\n",
 "/QUESTDB_website/data/abs/oh_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{OH}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Pi        1       2     \\Sigma^+     _                                       4.10          _              _            false\n  1       2     \\Pi        1       2     \\Sigma^-     _                                       8.02          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_TBE_aug-cc-pVTZ.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.06          86.3           _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.45          92.9           _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        6.52          92.8           _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.08          93.4           0.066        false\n  1       1     A_{1g}     1       1     E_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.15          92.8           _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.16          98.6           _            false\n  1       1     A_{1g}     1       3     E_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.85          97.1           _            false\n  1       1     A_{1g}     1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.81          98.1           _            false\n",
 "/QUESTDB_website/data/abs/formamide_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Formamide\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.77          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.50          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.03          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_FCI_aug-cc-pVTZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3s)                      6.59          _              _            false\n  1       1     A_1        1       1     E            (n \\rightarrow 3p)                      8.16          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      9.33          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 4s)                      9.96          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3s)                      6.31          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.56          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R})                            6.26          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    0.75          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.25          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : MOLPRO\n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               3.52          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               3.50          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             4.77          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3s)                      5.35          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.54          _              _            false\n  1       1     A_1        3       1     B_2          (n \\rightarrow 3p)                      5.99          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.38          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               3.40          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.17          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.13          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CASPT2_6-31+G(d)_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : CASPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.49         _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_CCSDT_aug-cc-pVDZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.92          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.44          _              _            false\n",
 "/QUESTDB_website/data/abs/beryllium_CCSDTQ_aug-cc-pVDZ_double.dat": "# Molecule : Beryllium\n# Comment  : \n# code     : \n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : \n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     S          1       1     D            (2s,2s \\rightarrow 2p,2p)               7.23          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : MOLPRO\n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\pi \\rightarrow \\pi^\\star)             6.68          _              _            false\n  1       1     A_g        1       1     B_g          (\\pi \\rightarrow 3s)                    6.44          _              _            false\n  1       1     A_g        2       1     A_g          (\\pi \\rightarrow \\pi^\\star)             6.70          _              _            false\n  1       1     A_g        1       1     A_u          (\\pi \\rightarrow 3p)                    6.84          _              _            false\n  1       1     A_g        2       1     A_u          (\\pi \\rightarrow 3p)                    7.01          _              _            false\n  1       1     A_g        2       1     B_u          (\\pi \\rightarrow 3p)                    7.45          _              _            false\n  1       1     A_g        1       3     B_u          (\\pi \\rightarrow \\pi^\\star)             3.40          _              _            false\n  1       1     A_g        1       3     A_g          (\\pi \\rightarrow \\pi^\\star)             5.30          _              _            false\n  1       1     A_g        1       3     B_g          (\\pi \\rightarrow 3s)                    6.38          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_PC-NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   8.04          _              _            false\n  1       1     A_g        3       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 9.00          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_CC3_aug-cc-pVTZ.dat": "# Molecule : Benzene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.09          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.44          _              _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        6.52          _              _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.08          _              _            false\n  1       1     A_{1g}     1       1     E_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.15          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.18          _              _            false\n  1       1     A_{1g}     1       3     E_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.86          _              _            false\n  1       1     A_{1g}     1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.81          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.74          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.51          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.04          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.20          _              _            true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.78          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.86          _              _            false\n",
 "/QUESTDB_website/data/abs/triazine_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Triazine\n# Comment  : \n# code     : MOLPRO\n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.61          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.89          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.88          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\pi \\rightarrow \\pi^\\star)             5.95          _              _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\pi \\rightarrow \\pi^\\star)             7.30          _              _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (n \\rightarrow 3s)                      7.45          _              _            false\n  1       1     A_1^\\prime 2       1     E^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               7.98          _              _            false\n  1       1     A_1^\\prime 2       1     E^\\prime     (\\pi \\rightarrow \\pi^\\star)             8.34          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.51          _              _            false\n  1       1     A_1^\\prime 1       3     E^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.61          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.71          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^\\prime   (\\pi \\rightarrow \\pi^\\star)             5.05          _              _            false\n  1       1     A_1^\\prime 1       3     E^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.73          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^\\prime   (\\pi \\rightarrow \\pi^\\star)             6.36          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CC3(Full)_d-aug-cc-pV5Z.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3s)                      6.63          _              _            false\n  1       1     A_1        1       1     E            (n \\rightarrow 3p)                      8.17          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      8.62          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 4s)                      9.18          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3s)                      6.35          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CCSDT_6-31+G(d)_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.50         _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.18          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.23          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.16          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.52          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.35          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.70          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.71          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.16          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.24          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_CC3_6-31+G(d).dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.09          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.86          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.33          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_CC3_aug-cc-pV5Z.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     _                                       5.79          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       _                                       6.06          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     _                                       4.47          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       _                                       5.22          _              _            false\n",
 "/QUESTDB_website/data/abs/benzoquinone_CCSD_aug-cc-pVTZ.dat": "# Molecule : Benzoquinone\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.13          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.30          _              _            false\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.87          _              _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.87          _              _            true\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.44          _              _            true\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.75          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.17          _              _            true\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.73          _              _            true\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.59          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.78          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.94          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.09          _              _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.46          _              _            false\n",
 "/QUESTDB_website/data/abs/diazirine_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Diazirine\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.03          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 7.01          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           7.48          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.06          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.46          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.78          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.89          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           6.7           _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.99          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.67          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.22          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.11          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           8.04          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.06          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           8.53          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V})                            9.45          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.81          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.84          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.18          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.02          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.93          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.00          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R})                            8.78          _              _            false\n",
 "/QUESTDB_website/data/abs/cf2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.05          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.74          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CC3_aug-cc-pVQZ_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.06         61             _            false\n",
 "/QUESTDB_website/data/abs/bef_U-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{BeF}\n# Comment  : \n# code     : \n# method   : U-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Sigma^+   1       2     \\Pi          _                                       4.15          _              _            false\n  1       2     \\Sigma^+   2       2     \\Sigma^+     _                                       6.21          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.19          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.61          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.49          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         5.84          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.44          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.51          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.60          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.97          _              _            true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.36          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.01          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         5.83          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.42          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.32          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.32          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.83          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.46          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.65          _              _            false\n",
 "/QUESTDB_website/data/abs/cf2_CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.07          _              0.034        false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.76          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_CC3_6-31+G(d).dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.19          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.48          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.44          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.40          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.88          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.27          _              _            false\n  1       1     A_g        2       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.58          _              _            false\n  1       1     A_g        1       1     B_u          (\\mathrm{R}; n \\rightarrow 3p)          7.67          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.49          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.90          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.17          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.30          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_SC-NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     E_{2g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.61          _              _            false\n  1       1     A_{1g}     2       1     A_{1g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 10.48         _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           6.00          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3p)           6.14          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3p)           5.61          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3p)           5.75          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_CC2_aug-cc-pVTZ.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.20          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.84          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_MS-CASPT2_aug-cc-pVTZ_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : MS-CASPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.35         _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_SC-NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.28          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.60          _              _            false\n",
 "/QUESTDB_website/data/abs/cf2_FCI_aug-cc-pVTZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.09          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.77          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CC3_d-aug-cc-pVQZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : Dalton\n# method   : CC3,d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3s)                      6.61          _              _            false\n  1       1     A_1        1       1     E            (n \\rightarrow 3p)                      8.16          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      8.61          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 4s)                      9.16          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3s)                      6.33          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_PC-NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.25         _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_TBE_CBS_double.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : \n# method   : TBE,CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          double                                  8.04          12             _            false\n  1       1     A_g        3       1     A_g          double                                  8.69          71             _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CCSD_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.01          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.23          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           8.12          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.21          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           8.65          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 9.28          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.67          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.56          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.97          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.08          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.94          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.09          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3d)           8.43          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_TBE_CBS_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : TBE,CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     double                                  4.32          0              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.54          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.20          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Benzene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.08          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             6.50          _              _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\pi \\rightarrow 3s)                    6.46          _              _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\pi \\rightarrow 3p)                    7.02          _              _            false\n  1       1     A_{1g}     1       1     E_{2u}       (\\pi \\rightarrow 3p)                    7.09          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.17          _              _            false\n  1       1     A_{1g}     1       3     E_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.88          _              _            false\n  1       1     A_{1g}     1       3     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.86          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : MRCC\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 6.68          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.73          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_FCI_aug-cc-pVTZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.22          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_CCSDTQ_aug-cc-pVDZ_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.31          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     6.00          _              _            false\n",
 "/QUESTDB_website/data/abs/benzoquinone_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Benzoquinone\n# Comment  : \n# code     : \n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.91          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.12          _              _            false\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.29          _              _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.45          _              _            true\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.58          _              _            true\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.53          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.06          _              _            true\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.22          _              _            true\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.12          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.63          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.85          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.84          _              _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.12          _              _            false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_CCSDT_6-31+G(d).dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.83          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.11          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.52          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.09          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.48          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.85          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.34          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.61          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.08          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.80          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.12          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.31          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.14          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.63          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.76          _              _            false\n  1       1     A_g        2       1     B_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.48          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.46          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.27          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.27          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Benzene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.11          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.45          _              _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        6.54          _              _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.09          _              _            false\n  1       1     A_{1g}     1       1     E_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.16          _              _            false\n",
 "/QUESTDB_website/data/abs/triazine_CC3_aug-cc-pVDZ.dat": "# Molecule : Triazine\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.76          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.78          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.82          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\pi \\rightarrow \\pi^\\star)             5.81          _              _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\pi \\rightarrow \\pi^\\star)             7.31          _              _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (n \\rightarrow 3s)                      7.24          _              _            false\n  1       1     A_1^\\prime 2       1     E^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               7.82          _              _            false\n  1       1     A_1^\\prime 2       1     E^\\prime     (\\pi \\rightarrow \\pi^\\star)             7.97          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.35          _              _            false\n  1       1     A_1^\\prime 1       3     E^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.52          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.78          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^\\prime   (\\pi \\rightarrow \\pi^\\star)             4.88          _              _            false\n  1       1     A_1^\\prime 1       3     E^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.64          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^\\prime   (\\pi \\rightarrow \\pi^\\star)             6.69          _              _            false\n",
 "/QUESTDB_website/data/abs/aza-naphthalene_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Aza-naphthalene\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.36          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.46          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.61          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.76          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.13          _              _            false\n  1       1     A_g        2       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.87          _              _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.86          _              _            false\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.08          _              _            true\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.93          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.90          _              _            false\n  1       1     A_g        3       1     A_g          (\\mathrm{R};n \\rightarrow 3s)           6.11          _              _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.13          _              _            true\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.99          _              _            true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.19          _              _            true\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.03          _              _            true\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.58          _              _            true\n  1       1     A_g        2       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.80          _              _            true\n  1       1     A_g        2       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.06          _              _            true\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.20          _              _            true\n",
 "/QUESTDB_website/data/abs/propynal_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Propynal\n# Comment  : \n# code     : CFOUR\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.82          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             5.50          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.49          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             4.43          _              _            false\n",
 "/QUESTDB_website/data/abs/bef_RO-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{BeF}\n# Comment  : \n# code     : \n# method   : RO-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Sigma^+   1       2     \\Pi          _                                       4.18          _              _            false\n  1       2     \\Sigma^+   2       2     \\Sigma^+     _                                       6.31          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.88          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.53          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.78          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.41          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.46          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.57          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.71          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CC3_d-aug-cc-pVQZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : Dalton\n# method   : CC3,d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\pi \\rightarrow 3s)                    7.37          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             7.90          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\pi \\rightarrow 3p)                    8.03          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.54          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\pi \\rightarrow 3s)                    7.26          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\pi \\rightarrow 3p)                    7.99          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_CC3_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.21          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.57          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.32          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.54          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          6.96          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          7.00          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.28          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.91          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.89          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.37          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.83          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.42          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.67          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.28          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.32          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.45          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.23          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.04          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.62          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.23          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Acetone\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.50          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.91          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          7.90          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          7.92          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          8.01          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.12          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.01          _              _            false\n",
 "/QUESTDB_website/data/abs/imidazole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Imidazole\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{R};\\pi \\rightarrow 3s)         5.95          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.56          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.67          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.90          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{R};\\pi \\rightarrow 3s)         5.93          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.82          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.54          _              _            false\n",
 "/QUESTDB_website/data/abs/hco_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCO}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A^\\prime   1       2     A^{\\prime\\prime} _                                       2.09          _              _            false\n  1       2     A^\\prime   2       2     A^\\prime     _                                       5.45          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_CC3_aug-cc-pVTZ_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     E_{2g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.38          73             _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_PC-NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.26         _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.75          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.01         _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.14         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            11.52         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            12.04         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            12.25         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.63          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.41          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.40          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.98          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            11.08         _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CC3(Full)_t-aug-cc-pVQZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),t-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   8.45          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.98          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 10.11         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.72         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.34         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.46         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.29          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.47          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.30          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.81          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.34         _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.16          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.33          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.81          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.09          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.95          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.35          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             4.31          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    5.35          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3p)                    5.88          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow  \\pi^\\star)            6.15          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             3.49          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.74          _              _            false\n",
 "/QUESTDB_website/data/abs/furan_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Furan\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.04          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.31          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.62          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.56          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.75          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.19          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.16          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.41          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.98          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.53          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.00          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.55          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_PC-NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.88          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_CC3_aug-cc-pVQZ.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (n \\rightarrow \\pi^\\star)               2.45          _              _            false\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               3.68          _              _            false\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star, \\pi^\\star)  6.19          _              _            true\n  1       1     A_g        1       1     B_{1g}       (n \\rightarrow \\pi^\\star)               4.90          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.22          _              _            false\n  1       1     A_g        1       1     B_{2g}       (n \\rightarrow \\pi^\\star)               5.46          _              _            false\n  1       1     A_g        2       1     A_u          (n \\rightarrow \\pi^\\star)               5.52          _              _            false\n  1       1     A_g        1       1     B_{3g}       (n,n \\rightarrow \\pi^\\star, \\pi^\\star)  7.60          _              _            true\n  1       1     A_g        2       1     B_{2g}       (n \\rightarrow \\pi^\\star)               6.13          _              _            false\n  1       1     A_g        2       1     B_{1g}       (n \\rightarrow \\pi^\\star)               6.92          _              _            false\n  1       1     A_g        1       3     B_{3u}       (n \\rightarrow \\pi^\\star)               1.86          _              _            false\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               3.45          _              _            false\n  1       1     A_g        1       3     B_{1g}       (n \\rightarrow \\pi^\\star)               4.21          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.54          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             4.52          _              _            false\n  1       1     A_g        1       3     B_{2g}       (n \\rightarrow \\pi^\\star)               5.05          _              _            false\n  1       1     A_g        2       3     A_u          (n \\rightarrow \\pi^\\star)               5.11          _              _            false\n  1       1     A_g        1       3     B_{3g}       (n,n \\rightarrow \\pi^\\star, \\pi^\\star)  7.34          _              _            true\n  1       1     A_g        2       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             5.43          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_CC3_aug-cc-pVDZ_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.25          0              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_CC3_6-31+G(d).dat": "# Molecule : Acetylene\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.40          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.72          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.49          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.57          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.28          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_TBE_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.22          89.3           _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.96          92.3           0.012        false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.38          90.8           0.178        false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.94          97.7           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.43          98.9           _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.72          97.6           _            false\n",
 "/QUESTDB_website/data/abs/furan_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Furan\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    6.09          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.37          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.56          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.64          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.81          _              _            false\n",
 "/QUESTDB_website/data/abs/triazine_CC2_aug-cc-pVTZ.dat": "# Molecule : Triazine\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.64          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.75          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.72          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.89          _              _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.32          _              _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          6.87          _              _            false\n  1       1     A_1^\\prime 2       1     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   7.71          _              _            false\n  1       1     A_1^\\prime 2       1     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.63          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.32          _              _            false\n  1       1     A_1^\\prime 1       3     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.46          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.65          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.12          _              _            false\n  1       1     A_1^\\prime 1       3     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.88          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.76          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_CC3_aug-cc-pVQZ.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               4.23          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               5.58          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.37          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.56          _              _            false\n  1       1     A_1        3       1     B_2          (n \\rightarrow 3p)                      6.99          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      7.05          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             8.28          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               3.93          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.91          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               5.39          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.84          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_PC-NEVPT2_6-31+G(d)_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.56          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Propynal\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.82          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.72          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.40          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.38          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_CC3_aug-cc-pVDZ_double.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.11          75             _            false\n",
 "/QUESTDB_website/data/abs/acetylene_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.33          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.58          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.45          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.72          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.37          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_SC-NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.26         _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_CC3_aug-cc-pV5Z.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.31          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.04          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.09          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.43          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.51          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.39          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.08          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_exp.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (n \\rightarrow 4s)                      5.85          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.2           _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             3.28          _              _            false\n",
 "/QUESTDB_website/data/abs/furan_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Furan\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         6.22          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.52          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.83          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.75          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.94          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.34          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.41          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.49          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         6.20          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.73          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_CCSDTQ_6-31+G(d).dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               2.56          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 4s)                      5.66          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.07          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 4p)                      6.59          _              _            false\n  1       1     A_1        3       1     A_1          (n \\rightarrow 4p)                      6.96          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.58          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.50          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.16          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.48          _              _            false\n",
 "/QUESTDB_website/data/abs/water_CCSDTQ_aug-cc-pVTZ.dat": "# Molecule : Water\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.62          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          9.40          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.98          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.24          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; n \\rightarrow 3p)          9.23          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.53          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.64          _              _            false\n  1       1     A^\\prime   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.83          _              _            false\n  1       1     A^\\prime   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.27          _              _            false\n  1       1     A^\\prime   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.18          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.10          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.47          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.86          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_CC3_aug-cc-pVTZ.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.83          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.42          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.46          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.01          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_CC3_aug-cc-pVQZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.60          _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime    1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.29          _              _            false\n  1       1     A^\\prime    1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.94          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.83          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.25          _              _            false\n  1       1     A_g        2       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.65          _              _            false\n  1       1     A_g        1       1     B_u          (\\mathrm{R}; n \\rightarrow 3p)          7.52          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.40          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.83          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.08          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.19          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CC3_aug-cc-pVTZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.57          _              _            false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           8.15          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           9.32          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 4s)           9.95          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.29          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_FCI_6-31+G(d).dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               2.93          _              _            false\n  1       1     A_g        1       1     B_g          (n \\rightarrow \\pi^\\star)               4.28          _              _            false\n  1       1     A_g        2       1     A_g          (n,n  \\rightarrow \\pi^\\star,\\pi^\\star)  5.60          _              _            true\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               2.54          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.83          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.73          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.37          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.27          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_CCSDT_aug-cc-pVDZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.07          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_PC-NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.78          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.47          90.9           _            false\n",
 "/QUESTDB_website/data/abs/ethylene_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.39          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.98          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.05          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.58          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.31          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.02          _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.47          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.21          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.16          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           5.95          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.40          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.91          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.32          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           5.80          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\pi \\rightarrow 3s)                    7.29          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             7.94          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\pi \\rightarrow 3p)                    7.98          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.54          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\pi \\rightarrow 3s)                    7.18          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\pi \\rightarrow 3p)                    7.94          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.07          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.33          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.50          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.49          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.44          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.72          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.42          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.87          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.97          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.08          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.13          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.49          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.50          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.59          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.74          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.54          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.06          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.06          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.86          _              _            false\n  1       1     A_g        2       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.07          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.06          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_CCSDTQP_6-31+G(d)_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : CCSDTQP,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.29          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.51          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_SC-NEVPT2_6-31+G(d)_double.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.08          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_XMS-CASPT2_aug-cc-pVTZ_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : XMS-CASPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     2       1     A_{1g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 10.55         _              _            false\n",
 "/QUESTDB_website/data/abs/nitromethyl_RO-CCSD_aug-cc-pVTZ.dat": "# Molecule : Nitromethyl\n# Comment  : \n# code     : \n# method   : RO-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_1        1       2     B_2          _                                       2.46          _              _            false\n  1       2     B_1        1       2     A_2          _                                       2.71          _              _            false\n  1       2     B_1        1       2     A_1          _                                       2.93          _              _            false\n  1       2     B_1        2       2     B_1           _                                       5.56          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.16          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.79          _              _            false\n",
 "/QUESTDB_website/data/abs/octatetraene_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Octatetraene\n# Comment  : \n# code     : \n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.52          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.89          _              _            true\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.06          _              _            true\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.42          _              _            true\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CIS(D\u221e)_aug-cc-pVTZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : MRCC\n# method   : CIS(D\u221e),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.69          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.03         _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.30         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            11.32         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.83         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            12.03         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.45          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.54          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.33          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.01         _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.83         _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CCSDTQ_aug-cc-pVTZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.59          _              _            false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           8.16          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           9.34          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 4s)           9.96          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.30          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.52          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.78          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V}; n,n \\rightarrow \\pi^\\star, \\pi^\\star) 6.77          _              _            true\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.03          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.26          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.57          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.32          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   7.05          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Acetone\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.44          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.39          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          7.36          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          7.38          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          7.50          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.06          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.19          _              _            false\n",
 "/QUESTDB_website/data/abs/diazirine_CCSD_aug-cc-pVTZ.dat": "# Molecule : Diazirine\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.18          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 7.39          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           7.55          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.11          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.53          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.03          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.17          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           6.81          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.46          _              0.003        false\n",
 "/QUESTDB_website/data/abs/butadiene_CCSDT_aug-cc-pVDZ_double.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi,\\pi)           6.59          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_MS-CASPT2_6-31+G(d)_double.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : MS-CASPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.36          _              _            false\n",
 "/QUESTDB_website/data/abs/co+_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{CO+}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Sigma^+   1       2     \\Pi          _                                       3.28          _              _            false\n  1       2     \\Sigma^+   2       2     \\Sigma^+     _                                       5.81          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.39          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.17          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.80          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.46          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.67          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.91          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.23          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.46          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.52          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.13          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.92          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.85          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.44          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.20          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.52          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.05          _              _            false\n  1       1     A_g        2       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.11          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.42          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.49          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.71          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.50          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.80          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.15          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.19          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.42          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.16          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.02          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.49          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.93          _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : MOLPRO\n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.84          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.10          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    6.20          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.19          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.40          _              _            false\n  1       1     A_1        2       1     B_1          (\\pi \\rightarrow 3s)                    6.71          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    7.25          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             7.39          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.13          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.84          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3p)                    5.98          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    6.14          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.57          _              _            false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           8.14          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           9.31          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           9.93          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.27          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_TBE_CBS_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : TBE,CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          double                                  12.56         61             _            false\n",
 "/QUESTDB_website/data/abs/thioacrolein_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Thioacrolein\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.04          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.78          _              _            false\n",
 "/QUESTDB_website/data/abs/water_CC2_aug-cc-pVTZ.dat": "# Molecule : Water\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.23          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          8.89          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.58          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; n \\rightarrow 3s)          6.91          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; n \\rightarrow 3p)          8.77          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.20          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_TBE_CBS_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : TBE,CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          double                                  10.34         34             _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : MRCC\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.12          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.50          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.80          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.05          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.78          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.72          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.69          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.42          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.07          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.98          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.62          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.32          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.52          _              _            true\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.46          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.28          _              _            false\n  1       1     A_g        2       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.33          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.39          _              _            false\n",
 "/QUESTDB_website/data/abs/furan_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Furan\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.16          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.59          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.01          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.67          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.84          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.34          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.51          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.69          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.13          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.64          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Formamide\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.60          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.29          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.75          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.67          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.95          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.31          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.46          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.82          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.72          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.41          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.36          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          6.02          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.30          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.65          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.96          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.83          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.80          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.40          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.38          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.95          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_CCSDTQ_6-31+G(d).dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.05          _              _            false\n",
 "/QUESTDB_website/data/abs/nco_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{NCO}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Pi        1       2     \\Sigma^+     _                                       2.89          _              _            false\n  1       2     \\Pi        2       2     \\Pi          _                                       4.73          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Pyridine\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.03          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.20          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.48          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.65          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          6.86          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.83          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.40          _              _            false\n  1       1     A_1        4       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.47          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_CC2_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.17          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.94          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.09          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.98          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.72          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.77          _              _            false\n  1       1     A_1        2       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.06          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CCSD_aug-cc-pVTZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : MRCC\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.91          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [QM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.91          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.12          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.30          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.39          _              _            false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_SOS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : \n# method   : SOS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.97          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.28          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.82          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.33          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.55          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.21          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_TBE_aug-cc-pVTZ.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.74          93.2           0.000        false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V};double)                     4.33          0.3            0.000        false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R})                            6.27          92.4           0.038        false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    0.88          99.2           _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.61          98.5           _            false\n",
 "/QUESTDB_website/data/abs/pyridine_exp.dat": "# Molecule : Pyridine\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               5.24          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             4.99          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               5.43          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.38          _              _            false\n  1       1     A_1        3       1     A_1          (n \\rightarrow 3s)                      6.28          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow \\pi^\\star)             7.22          _              _            false\n  1       1     A_1        4       1     A_1          (\\pi \\rightarrow \\pi^\\star)             7.22          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.39          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.88          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.06          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.51          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.32          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.03          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CC3(Full)_aug-cc-pV5Z.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   8.45          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.98          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 10.11         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.85         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.42         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.57         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.29          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.48          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.30          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.81          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.42         _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   8.46          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.98          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 10.11         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.91         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.47         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.64         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.29          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.47          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.30          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.81          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.45         _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_FCI_aug-cc-pVQZ_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.32          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.43          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.64          _              _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\mathrm{R};\\pi \\rightarrow 3s)         6.79          _              _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.33          _              _            false\n  1       1     A_{1g}     1       1     E_{2u}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.42          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.35          _              _            false\n  1       1     A_{1g}     1       3     E_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.14          _              _            false\n  1       1     A_{1g}     1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.92          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.51          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.90          _              0.031        false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.48          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.24          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.56          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.75          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.57          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.27          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_CCSDT_6-31+G(d).dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.11          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.87          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CC3_d-aug-cc-pVQZ.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : CFOUR\n# method   : CC3,d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               2.88          _              _            false\n  1       1     A_g        1       1     B_g          (n \\rightarrow \\pi^\\star)               4.27          _              _            false\n  1       1     A_g        2       1     A_g          (n,n  \\rightarrow \\pi^\\star,\\pi^\\star)  6.76          _              _            true\n  1       1     A_g        2       1     B_g          (n \\rightarrow \\pi^\\star)               6.58          _              _            false\n  1       1     A_g        1       1     B_u          (n \\rightarrow3p)                       7.72          _              _            false\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               2.49          _              _            false\n  1       1     A_g        1       3     B_g          (n \\rightarrow \\pi^\\star)               3.91          _              _            false\n  1       1     A_g        1       3     B_u          (\\pi \\rightarrow \\pi^\\star)             5.18          _              _            false\n  1       1     A_g        1       3     A_g          (\\pi \\rightarrow \\pi^\\star)             6.31          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_CC3_aug-cc-pVDZ_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     E_{2g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.44          72             _            false\n",
 "/QUESTDB_website/data/abs/cf2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [QM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 4.89          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.64          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_CC3(Full)_aug-cc-pCVQZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pCVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.90          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.52          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.07          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.56          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.57          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.52          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           8.04          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 9.32          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.54          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.59          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.30          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.44          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.45          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.44          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3d)           8.52          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_CCSDT_aug-cc-pVDZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.45          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_CASPT2_6-31+G(d)_double.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : CASPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi,\\pi)           6.80          _              _            false\n",
 "/QUESTDB_website/data/abs/nh2_RO-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{NH2}\n# Comment  : \n# code     : \n# method   : RO-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_1        1       2     A_1          _                                       2.12          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.18          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.94          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_FCI_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.49          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_PC-NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.35          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : CFOUR\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (n \\rightarrow \\pi^\\star)               2.45          _              _            false\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               3.67          _              _            false\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star, \\pi^\\star)  6.17          _              _            true\n  1       1     A_g        1       1     B_{1g}       (n \\rightarrow \\pi^\\star)               4.88          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.21          _              _            false\n  1       1     A_g        1       1     B_{2g}       (n \\rightarrow \\pi^\\star)               5.45          _              _            false\n  1       1     A_g        2       1     A_u          (n \\rightarrow \\pi^\\star)               5.50          _              _            false\n  1       1     A_g        1       1     B_{3g}       (n,n \\rightarrow \\pi^\\star, \\pi^\\star)  7.58          _              _            true\n  1       1     A_g        2       1     B_{2g}       (n \\rightarrow \\pi^\\star)               6.10          _              _            false\n  1       1     A_g        2       1     B_{1g}       (n \\rightarrow \\pi^\\star)               6.91          _              _            false\n  1       1     A_g        1       3     B_{3u}       (n \\rightarrow \\pi^\\star)               1.85          _              _            false\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               3.43          _              _            false\n  1       1     A_g        1       3     B_{1g}       (n \\rightarrow \\pi^\\star)               4.18          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.53          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             4.51          _              _            false\n  1       1     A_g        1       3     B_{2g}       (n \\rightarrow \\pi^\\star)               5.04          _              _            false\n  1       1     A_g        2       3     A_u          (n \\rightarrow \\pi^\\star)               5.10          _              _            false\n  1       1     A_g        1       3     B_{3g}       (n,n \\rightarrow \\pi^\\star, \\pi^\\star)  7.32          _              _            true\n  1       1     A_g        2       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             5.42          _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_CC3(Full)_aug-cc-pCVQZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pCVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.28          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.00          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CC3(Full)_aug-cc-pV5Z.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\pi \\rightarrow 3s)                    7.39          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             7.91          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\pi \\rightarrow 3p)                    8.05          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.53          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\pi \\rightarrow 3s)                    7.29          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\pi \\rightarrow 3p)                    8.01          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.06          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    5.51          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.85          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow \\pi^\\star)             2.82          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.03          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3s)                    5.37          _              _            false\n  1       1     A_1        2       3     A_1          (\\pi \\rightarrow 3p)                    6.80          _              _            false\n",
 "/QUESTDB_website/data/abs/aza-naphthalene_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Aza-naphthalene\n# Comment  : \n# code     : \n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.15          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.25          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.36          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.62          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.02          _              _            false\n  1       1     A_g        2       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.43          _              _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.41          _              _            false\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.58          _              _            true\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.82          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.05          _              _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.82          _              _            true\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.57          _              _            true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.71          _              _            true\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.75          _              _            true\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.38          _              _            true\n  1       1     A_g        2       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.74          _              _            true\n  1       1     A_g        2       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.71          _              _            true\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.88          _              _            true\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : MRCC\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.98          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_CC3(Full)_d-aug-cc-pVQZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CC3(Full),d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   _                                       6.38          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     _                                       6.65          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   _                                       4.91          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : MRCC\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.17          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.53          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_TBE_aug-cc-pVTZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : MRCC\n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.49          93.1           0.168        false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.92          93.3           _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.06         91.8           _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.95         91.5           0.003        false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.52         92.9           0.200        false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.72         92.4           0.106        false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.28          98.7           _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.45          98.7           _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.27          98.4           _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.80          97.5           _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.47         98.0           _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         5.36          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.01          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.07          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.34          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.42          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.90          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.69          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         5.34          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.56          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         5.97          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_FCI_aug-cc-pVTZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (n \\rightarrow \\pi^\\star)               9.34          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             9.88          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             10.29         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            12.98         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.03         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.09         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.46         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\pi \\rightarrow \\pi^\\star)             7.70          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (n \\rightarrow \\pi^\\star)               8.01          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             8.87          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             9.66          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CC3_d-aug-cc-pVTZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : Dalton\n# method   : CC3,d-aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 4p)                      6.17          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow 4s)                      6.24          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 4p)                      5.81          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 4s)                      5.88          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.09          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.43          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_TBE(Full)_CBS.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.10          96.5           _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.44          93.3           _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.56          99.2           _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.40          99.0           _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.09          98.8           _            false\n",
 "/QUESTDB_website/data/abs/triazine_TBE_aug-cc-pVTZ.dat": "# Molecule : Triazine\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.72          88.3           _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.75          88.3           0.014        false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.78          88.3           _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.75          85.7           _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.24          90.4           _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          7.32          90.9           0.016        false\n  1       1     A_1^\\prime 2       1     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   7.78          82.6           _            false\n  1       1     A_1^\\prime 2       1     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.94          90.0           0.451        false\n  1       1     A_1^\\prime 1       3     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.33          96.7           _            false\n  1       1     A_1^\\prime 1       3     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.51          96.6           _            false\n  1       1     A_1^\\prime 1       3     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.73          96.2           _            false\n  1       1     A_1^\\prime 1       3     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.85          98.2           _            false\n  1       1     A_1^\\prime 1       3     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.59          96.9           _            false\n  1       1     A_1^\\prime 1       3     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.62          97.6           _            false\n",
 "/QUESTDB_website/data/abs/hcf_CC3(Full)_aug-cc-pCVQZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pCVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.47          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_CASPT2_aug-cc-pVDZ_double.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.79          _              _            false\n  1       1     A_g        1       1     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 5.95          _              _            false\n  1       1     A_g        1       3     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 5.47          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : MRCC\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.24          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.73          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.82          _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.79         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.33         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.56         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.97          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.21          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.03          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.53          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.29         _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.11          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           6.03          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.18          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.92          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.67          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.85          _              _            false\n  1       1     A_1        2       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.15          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_CC2_aug-cc-pVTZ.dat": "# Molecule : Acetone\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.55          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.91          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          6.84          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          6.89          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          7.02          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.16          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.50          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CCSDTQ_6-31+G(d).dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.66          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.12         _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.22         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.90         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.56         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.85         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.32          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.48          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.40          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.35         _              _            false\n",
 "/QUESTDB_website/data/abs/water_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Water\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.61          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          9.38          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.97          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_CCSDTQ_6-31+G(d).dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.94          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.40          _              _            false\n",
 "/QUESTDB_website/data/abs/imidazole_CCSDT_6-31+G(d).dat": "# Molecule : Imidazole\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\pi \\rightarrow 3s)                    5.77          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             6.51          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               6.66          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi \\rightarrow 3p)                    7.02          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             4.81          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\pi \\rightarrow 3s)                    5.72          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.88          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               6.46          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Formamide\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.81          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.57          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.05          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_CC3_aug-cc-pVQZ.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (n \\rightarrow \\pi^\\star)               4.14          _              _            false\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               4.98          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.02          _              _            false\n  1       1     A_g        1       1     B_{2g}       (n \\rightarrow \\pi^\\star)               5.71          _              _            false\n  1       1     A_g        2       1     A_g          (n \\rightarrow 3s)                      6.70          _              _            false\n  1       1     A_g        1       1     B_{1g}       (n \\rightarrow \\pi^\\star)               6.73          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             6.85          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\pi \\rightarrow 3s)                    7.23          _              _            false\n  1       1     A_g        2       1     B_{2u}       (n \\rightarrow 3p)                      7.29          _              _            false\n  1       1     A_g        2       1     B_{1u}       (n \\rightarrow 3p)                      7.48          _              _            false\n  1       1     A_g        3       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             7.93          _              _            false\n  1       1     A_g        1       3     B_{3u}       (n \\rightarrow \\pi^\\star)               3.59          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.40          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             4.40          _              _            false\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               4.94          _              _            false\n  1       1     A_g        1       3     B_{2g}       (n \\rightarrow \\pi^\\star)               5.09          _              _            false\n  1       1     A_g        2       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             5.29          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CASPT2_aug-cc-pVTZ_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.27         _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_CC2_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : MRCC\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.20          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.60          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.83          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.42          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.46          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.01          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.37          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.73          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.52          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.93          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.22          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.25          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.83          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.05          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.76          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.58          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.14          _              _            false\n",
 "/QUESTDB_website/data/abs/aza-naphthalene_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Aza-naphthalene\n# Comment  : \n# code     : \n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.05          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.41          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.36          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.46          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.87          _              _            false\n  1       1     A_g        2       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.11          _              _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.48          _              _            false\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.64          _              _            true\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.96          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.84          _              _            false\n  1       1     A_g        3       1     A_g          (\\mathrm{R};n \\rightarrow 3s)           6.07          _              _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.76          _              _            true\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.84          _              _            true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.97          _              _            true\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.79          _              _            true\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.34          _              _            true\n  1       1     A_g        2       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.52          _              _            true\n  1       1     A_g        2       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.98          _              _            true\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.93          _              _            true\n",
 "/QUESTDB_website/data/abs/acrolein_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.85          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.80          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          6.40          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.49          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.06          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.37          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.34          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.14          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.00          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.02          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{R};n \\rightarrow 3s)           6.66          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.95          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.85          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.25          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{R};n \\rightarrow 3p)           7.22          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.82          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.55          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.54          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.12          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.34          _              _            false\n  1       1     A_g        2       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.48          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_CASPT2_aug-cc-pVTZ_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.36          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : MRCC\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.57          _              _            false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           8.15          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           9.32          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 4s)           9.94          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.25          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.80          _              _            false\n  1       1     A_{1g}     1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.92          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.44          _              _            false\n  1       1     A_{1g}     1       3     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.14          _              _            false\n  1       1     A_{1g}     1       3     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.88          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.32          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.38          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.71          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.03          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.17          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.15          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.61          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         7.01          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_CC3_aug-cc-pVTZ.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.46          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.67          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V}; n,n \\rightarrow \\pi^\\star, \\pi^\\star) 6.21          _              _            true\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.91          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.23          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.46          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.52          _              _            false\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V}; n,n \\rightarrow \\pi^\\star, \\pi^\\star) 7.62          _              _            true\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.13          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.92          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.85          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.44          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.20          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.54          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.52          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.05          _              _            false\n  1       1     A_g        2       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.11          _              _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V}; n,n \\rightarrow \\pi^\\star, \\pi^\\star) 7.35          _              _            true\n  1       1     A_g        2       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.42          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_MS-CASPT2_6-31+G(d)_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : MS-CASPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.51         _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.78          _              _            false\n",
 "/QUESTDB_website/data/abs/furan_CC3_aug-cc-pVDZ.dat": "# Molecule : Furan\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    6.00          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.37          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.62          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.55          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.73          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    7.39          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.25          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.51          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    5.94          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3p)                    6.51          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_exp.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   _                                       5.63          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     _                                       5.99          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   _                                       4.13          _              _            false\n",
 "/QUESTDB_website/data/abs/beryllium_CCSDT_6-31+G(d)_double.dat": "# Molecule : Beryllium\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : \n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     S          1       1     D            (2s,2s \\rightarrow 2p,2p)               8.04          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_CC3_aug-cc-pVDZ_double.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   9.17          28             _            false\n  1       1     A_g        3       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.77          72             _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.48          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.24          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.40          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.68          _              _            false\n",
 "/QUESTDB_website/data/abs/f2bo_RO-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{F2BO}\n# Comment  : \n# code     : \n# method   : RO-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_2        1       2     B_1          _                                       0.71          _              _            false\n  1       2     B_2        1       2     A_1          _                                       2.79          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_MS-CASPT2_aug-cc-pVDZ_double.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : MS-CASPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.30          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_CCSDT_6-31+G(d).dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               3.44          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               3.44          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             4.64          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3s)                      5.24          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.52          _              _            false\n  1       1     A_1        3       1     B_2          (n \\rightarrow 3p)                      5.81          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.31          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               3.33          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.00          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.04          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.11          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.57          _              _            false\n  1       1     A_g        2       1     B_g          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.98          _              _            false\n  1       1     A_g        1       1     B_u          (\\mathrm{R};n \\rightarrow 3p)           7.57          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.72          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.15          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.41          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.47          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienethione_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienethione\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.71          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.90          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.01          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.43          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.15          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.67          _              _            false\n",
 "/QUESTDB_website/data/abs/ch3_U-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{CH3}\n# Comment  : \n# code     : \n# method   : U-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A_2^{\\prime\\prime} 1       2     A_1^\\prime   _                                       5.86          _              _            false\n  1       2     A_2^{\\prime\\prime} 1       2     E^\\prime     _                                       6.97          _              _            false\n  1       2     A_2^{\\prime\\prime} 2       2     E^\\prime     _                                       7.19          _              _            false\n  1       2     A_2^{\\prime\\prime} 2       2     A_2^{\\prime\\prime} _                                       7.65          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               3.96          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      7.23          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3p)                      8.11          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      8.23          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 3p)                      8.61          _              _            false\n  1       1     A_1        1       1     B_1          (\\sigma \\rightarrow \\pi^\\star)          9.18          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             9.46          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.57          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.06          _              _            false\n  1       1     A_1        1       3     B_2          (n \\rightarrow 3s)                      7.09          _              _            false\n  1       1     A_1        2       3     B_2          (n \\rightarrow 3p)                      7.96          _              _            false\n  1       1     A_1        2       3     A_1          (n \\rightarrow 3p)                      8.12          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3d)                      8.41          _              _            false\n",
 "/QUESTDB_website/data/abs/beryllium_FCI_aug-cc-pVTZ_double.dat": "# Molecule : Beryllium\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVTZ\n# geom     : \n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     S          1       1     D            (2s,2s \\rightarrow 2p,2p)               7.15          _              _            false\n",
 "/QUESTDB_website/data/abs/imidazole_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Imidazole\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.73          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.47          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.53          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R}; \\pi \\rightarrow 3p)        6.93          _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.52          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.93          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         6.21          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.38          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.27          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         6.54          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.36          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.48          _              _            true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.94          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.70          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.27          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         6.18          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Pyridine\n# Comment  : \n# code     : MOLPRO\n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               5.15          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             5.31          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               5.29          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.69          _              _            false\n  1       1     A_1        3       1     A_1          (n \\rightarrow 3s)                      6.99          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3s)                    6.86          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow \\pi^\\star)             7.83          _              _            false\n  1       1     A_1        2       1     B_1          (\\pi \\rightarrow 3p)                    7.45          _              _            false\n  1       1     A_1        4       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.97          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.60          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               4.58          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.88          _              _            false\n  1       1     A_1        2       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.19          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               5.33          _              _            false\n  1       1     A_1        2       3     B_2          (\\pi \\rightarrow \\pi^\\star)             6.29          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Propynal\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.85          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.55          _              _            false\n",
 "/QUESTDB_website/data/abs/ch_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{CH}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Pi        1       2     \\Delta       _                                       2.91          _              _            false\n  1       2     \\Pi        1       2     \\Sigma^-     _                                       3.29          _              _            false\n  1       2     \\Pi        1       2     \\Sigma^+     _                                       3.98          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_CC3_6-31+G(d).dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               4.58          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               4.99          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             5.47          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow \\pi^\\star)               6.07          _              _            false\n  1       1     A_1        2       1     B_1          (n \\rightarrow \\pi^\\star)               6.39          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3s)                      6.81          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             7.08          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               4.20          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.55          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               4.77          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             5.08          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.98          _              _            false\n",
 "/QUESTDB_website/data/abs/triazine_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Triazine\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.91          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.14          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.07          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.64          _              _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.31          _              _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (\\mathrm{R};n \\rightarrow 3s)           7.48          _              _            false\n  1       1     A_1^\\prime 2       1     E^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.20          _              _            false\n  1       1     A_1^\\prime 2       1     E^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.07          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.76          _              _            false\n  1       1     A_1^\\prime 1       3     E^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.85          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.98          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^\\prime   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.14          _              _            false\n  1       1     A_1^\\prime 1       3     E^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.82          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^\\prime   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.90          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_CC3_aug-cc-pVTZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.20          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.61          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_CCSDTQP_6-31+G(d).dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : CCSDTQP,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.56          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_CCSDT_aug-cc-pVDZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.53          _              _            false\n",
 "/QUESTDB_website/data/abs/h2ps_U-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{H2PS}\n# Comment  : \n# code     : \n# method   : U-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A^\\prime     1       2     A^{\\prime\\prime} _                                       1.16          _              _            false\n  1       2     A^\\prime     2       2     A^\\prime     _                                       2.75          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_FCI_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.84          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.15          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.47          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.22          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_CC3_aug-cc-pVQZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.49          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               4.00          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      7.09          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3p)                      8.04          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      8.12          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 3p)                      8.68          _              _            false\n  1       1     A_1        1       1     B_1          (\\sigma \\rightarrow \\pi^\\star)          9.30          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             9.54          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.58          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.09          _              _            false\n  1       1     A_1        1       3     B_2          (n \\rightarrow 3s)                      6.95          _              _            false\n  1       1     A_1        2       3     B_2          (n \\rightarrow 3p)                      7.86          _              _            false\n  1       1     A_1        2       3     A_1          (n \\rightarrow 3p)                      8.00          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3d)                      8.48          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_CC3_aug-cc-pVDZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.18          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.81          _              _            false\n",
 "/QUESTDB_website/data/abs/triazine_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Triazine\n# Comment  : \n# code     : \n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.58          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.69          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.66          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.83          _              _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.18          _              _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          6.89          _              _            false\n  1       1     A_1^\\prime 2       1     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.65          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.29          _              _            false\n  1       1     A_1^\\prime 1       3     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.42          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.59          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.10          _              _            false\n  1       1     A_1^\\prime 1       3     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.82          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.63          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.18          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.60          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.38          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.37          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.72          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.17          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.36          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          5.77          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.23          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.26          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.12          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.04          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_CC2_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.34          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.82          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.71          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.94          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.48          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.64          _              _            false\n",
 "/QUESTDB_website/data/abs/cf2_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.06          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.63          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : MRCC\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.25          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.80          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.92          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.44          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.14          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.88          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CC3_aug-cc-pVTZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.34          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.88          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.29         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            13.01         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.22         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.12         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.49         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.68          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.04          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.87          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.68          _              _            false\n",
 "/QUESTDB_website/data/abs/cf2_CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.09          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.69          _              _            false\n",
 "/QUESTDB_website/data/abs/imidazole_CC3_aug-cc-pVQZ.dat": "# Molecule : Imidazole\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\pi \\rightarrow 3s)                    5.73          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             6.41          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               6.53          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi \\rightarrow 3p)                    6.86          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             4.76          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\pi \\rightarrow 3s)                    5.70          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.75          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               6.33          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.17          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.53          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.60          _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.61          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.79          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.03          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.02          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.14          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.43          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.18          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.65          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.56          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.83          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.97          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_TBE(Full)_CBS.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : MRCC\n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.48          93.1           0.168        false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.98          93.3           _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.10         91.8           _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.80         91.5           0.003        false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.42         92.9           0.200        false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.55         92.4           0.106        false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.28          98.7           _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.49          98.7           _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.28          98.4           _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.77          97.5           _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.37         98.0           _            false\n",
 "/QUESTDB_website/data/abs/ketene_TBE_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.86          91.0           _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           6.01          93.9           0.035        false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.18          94.4           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.77          91.0           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.61          98.6           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.79          98.1           _            false\n  1       1     A_1        2       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.12          94.4           _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.22          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.90          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.50          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_CCSD_aug-cc-pVTZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : MRCC\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.60          _              _            false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           8.15          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           9.33          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 4s)           9.95          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.30          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     _                                       5.92          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       _                                       6.19          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     _                                       4.43          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       _                                       5.27          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_TBE(Full)_CBS.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.06          86.3           _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.44          92.9           _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        6.54          92.8           _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.10          93.4           0.066        false\n  1       1     A_{1g}     1       1     E_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.16          92.8           _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.17          98.6           _            false\n  1       1     A_{1g}     1       3     E_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.86          97.1           _            false\n  1       1     A_{1g}     1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.81          98.1           _            false\n",
 "/QUESTDB_website/data/abs/thiophene_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.73          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.09          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         6.19          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.35          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.38          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         6.57          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.35          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.56          _              _            true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.08          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.89          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.22          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         6.16          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.68          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.68          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           5.74          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.11          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           6.61          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           6.74          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.44          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.57          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.88          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 4p)           6.18          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 4s)           6.24          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 4p)           5.81          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 4s)           5.88          _              _            false\n",
 "/QUESTDB_website/data/abs/f2bs_RO-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{F2BS}\n# Comment  : \n# code     : \n# method   : RO-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_2        1       2     B_1          _                                       0.48          _              _            false\n  1       2     B_2        1       2     A_1          _                                       2.93          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_MS-CASPT2_aug-cc-pVQZ_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : MS-CASPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     2       1     A_{1g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 10.97         _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : MRCC\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime    1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.25          _              _            false\n  1       1     A^\\prime    1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.95          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.09          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.66          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.91          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.06          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.99          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.04          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           8.50          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 9.17          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.26          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.47          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.96          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.92          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.82          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.93          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3d)           8.36          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_CC2_aug-cc-pVTZ.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.51          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.35          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.85          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.09          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.64          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.81          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_TBE(Full)_CBS.dat": "# Molecule : Pyridine\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.95          88.4           0.004        false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.14          86.5           0.028        false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.41          87.9           _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.61          92.1           0.010        false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          6.80          89.7           0.011        false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.84          93.2           _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.42          90.0           0.319        true\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.40          93.6           0.045        false\n  1       1     A_1        4       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.40          90.5           0.291        false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.31          98.5           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.47          97.0           _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.79          97.3           _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.04          97.1           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.38          95.8           _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.24          97.7           _            false\n",
 "/QUESTDB_website/data/abs/octatetraene_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Octatetraene\n# Comment  : \n# code     : \n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.52          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.88          _              _            true\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.28          _              _            true\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.62          _              _            true\n",
 "/QUESTDB_website/data/abs/ethylene_FCI_aug-cc-pVDZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\pi \\rightarrow 3s)                    7.31          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             7.93          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\pi \\rightarrow 3p)                    8.00          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.55          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\pi \\rightarrow 3s)                    7.16          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\pi \\rightarrow 3p)                    7.93          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_TBE(Full)_CBS.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.97          91.5           _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.30          91.7           0.021        false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           8.14          92.4           0.037        false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.27          91.9           0.052        false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           8.50          91.7           _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 9.21          90.8           0.001        false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.26          90.4           0.135        false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.58          98.1           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.07          99.0           _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.14          97.1           _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.96          97.4           _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.15          97.2           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3d)           8.42          97.9           _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_CCSD_aug-cc-pVTZ.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.76          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R})                            6.30          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    0.85          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.49          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_TBE_CBS_double.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : TBE,CBS\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          double                                  5.75          67             _            false\n",
 "/QUESTDB_website/data/abs/naphthalene_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Naphthalene\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.35          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.96          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.75          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.10          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.02          _              _            true\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{R};\\pi \\rightarrow 3p)         6.18          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{R};\\pi \\rightarrow 3p)         6.15          _              _            false\n  1       1     A_g        2       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.27          _              _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{R};\\pi \\rightarrow 3s)         6.37          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.49          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.65          _              _            false\n  1       1     A_g        3       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.30          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.37          _              _            true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.31          _              _            true\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.60          _              _            true\n  1       1     A_g        2       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.80          _              _            true\n  1       1     A_g        2       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.15          _              _            true\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.57          _              _            true\n  1       1     A_g        2       3     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.44          _              _            true\n  1       1     A_g        2       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.69          _              _            true\n",
 "/QUESTDB_website/data/abs/furan_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Furan\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.12          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.47          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.76          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.64          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.82          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.29          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.41          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.59          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.08          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.61          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.33          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.14          _              _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.79          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R};\\pi \\rightarrow 3p)         5.93          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.88          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s/3p)        5.86          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.03          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.75          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_exp.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.82          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.64          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_SC-NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     E_{2g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.56          _              _            false\n  1       1     A_{1g}     2       1     A_{1g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 10.38         _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_FCI_6-31+G(d).dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               2.61          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               2.36          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_TBE_aug-cc-pVTZ.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.24          92.9           _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.00          92.4           0.015        false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.00          93.0           _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.26          92.5           0.164        false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.30          86.3           0.001        false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.83          92.6           0.003        false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.51          98.3           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.21          97.6           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.45          97.8           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.91          97.4           _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.28          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.00          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_CC3_aug-cc-pVDZ.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.86          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             6.51          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.47          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.03          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_TBE_CBS_double.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : TBE,CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   3       1     A^\\prime     double                                  7.87          75             _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.17          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.80          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_exp.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               4.07          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      7.11          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3p)                      7.97          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      8.14          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 3p)                      8.37          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.50          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.86          _              _            false\n  1       1     A_1        1       3     B_2          (n \\rightarrow 3s)                      6.83          _              _            false\n  1       1     A_1        2       3     B_2          (n \\rightarrow 3p)                      7.79          _              _            false\n  1       1     A_1        2       3     A_1          (n \\rightarrow 3p)                      7.96          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CASPT2_aug-cc-pVTZ_double.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.79          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_FCI_6-31+G(d).dat": "# Molecule : Acetone\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               4.60          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               4.18          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CCSDT_6-31+G(d).dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.73          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.15          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.30          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.53          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.51          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.22          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_CASPT2_aug-cc-pVDZ_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.06          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.81          _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.69          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.00          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.17          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.20          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.28          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.52          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.33          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.46          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_PC-NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   3       1     A^\\prime     (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 7.93          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.08          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [QM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.89          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.44          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    5.14          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    5.87          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    5.93          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.28          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.32          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    7.00          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.54          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    5.12          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.48          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3p)                    5.81          _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.27          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.05          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_TBE(Full)_CBS.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.21          93.3           0.664        false\n  1       1     A_g        1       1     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.35          94.1           _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.50          75.1           _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.66          94.1           0.001        false\n  1       1     A_g        2       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.82          94.1           0.049        false\n  1       1     A_g        2       1     B_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.54          93.8           0.055        false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.37          98.4           _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.21          98.7           _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.31          97.9           _            false\n",
 "/QUESTDB_website/data/abs/hps_CCSDT_6-31+G(d).dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.55          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_PC-NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     E_{2g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.52          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_CC2_aug-cc-pVTZ.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.74          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R})                            5.72          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    0.84          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.44          _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.64          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             5.98          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    6.14          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.14          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.21          _              _            false\n  1       1     A_1        2       1     B_1          (\\pi \\rightarrow 3s)                    6.49          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    7.29          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_MS-CASPT2_aug-cc-pVDZ_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : MS-CASPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.45         _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_SC-NEVPT2_6-31+G(d)_double.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,6-31+G(d)\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi\\rightarrow \\pi^\\star,\\pi^\\star) 5.70          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Pyridine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.99          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.21          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.48          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.74          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          6.52          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.74          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.29          _              _            false\n  1       1     A_1        4       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.38          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.29          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.45          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.74          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.02          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.43          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.17          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Pyridine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.98          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.33          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.27          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.31          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          6.65          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.83          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.38          _              _            false\n  1       1     A_1        4       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.48          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.53          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.47          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.98          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.28          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.23          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.35          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Propynal\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.79          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.46          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.42          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.38          _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_TBE_aug-cc-pVTZ.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : MRCC\n# method   : TBE,aug-cc-pVTZ \n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime    1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.31          91.3           0.000        false\n  1       1     A^\\prime    1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.97          97.9           _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_CASPT2_6-31+G(d)_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : CASPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.55          _              _            false\n",
 "/QUESTDB_website/data/abs/triazine_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Triazine\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.73          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.74          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.78          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.78          _              _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.24          _              _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          7.35          _              _            false\n  1       1     A_1^\\prime 2       1     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   7.79          _              _            false\n  1       1     A_1^\\prime 2       1     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.92          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.33          _              _            false\n  1       1     A_1^\\prime 1       3     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.51          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.75          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.88          _              _            false\n  1       1     A_1^\\prime 1       3     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.61          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.63          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.90          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.99          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.20          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_CASPT2_6-31+G(d)_double.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : CASPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     E_{2g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 8.43          _              _            false\n  1       1     A_{1g}     2       1     A_{1g}       (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 10.54         _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Formamide\n# Comment  : \n# code     : MRCC\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.60          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s)           6.73          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.59          _              _            true\n  1       1     A^\\prime   4       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3p)           7.47          _              _            true\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.29          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.75          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.85          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.15          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.45          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.22          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.11          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.84          94.9           _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.15          94.0           _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.47          98.9           _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.22          98.8           _            false\n",
 "/QUESTDB_website/data/abs/cf2_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.08          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.97          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.74          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.51          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.34          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacrolein_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Thioacrolein\n# Comment  : \n# code     : \n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.06          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.81          _              _            false\n",
 "/QUESTDB_website/data/abs/benzoquinone_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Benzoquinone\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.24          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.40          _              _            false\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.08          _              _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.96          _              _            true\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.44          _              _            true\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.75          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.27          _              _            true\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.83          _              _            true\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.72          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.90          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.05          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.39          _              _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.66          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.54          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.54          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.05          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.21          _              _            true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.62          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.75          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.48          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.26         _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.79         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            12.99         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.32         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.07         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            14.00         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.15          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.20          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.25          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.23         _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienone_CCSD_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienone\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.12          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.77          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.68          _              _            true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.28          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.75          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.13          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CCSD_aug-cc-pVTZ.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.01          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.42          _              _            false\n  1       1     A_g        2       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   7.12          _              _            false\n  1       1     A_g        1       1     B_u          (\\mathrm{R}; n \\rightarrow 3p)          7.84          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.56          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.96          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.10          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.23          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CASPT2_aug-cc-pVTZ_double.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.42          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_CC3_aug-cc-pVQZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.20          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.62          _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.22          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.91          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.19          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.80          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.40          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.38          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.95          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_CC3_6-31+G(d).dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (n \\rightarrow \\pi^\\star)               2.53          _              _            false\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               3.75          _              _            false\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star, \\pi^\\star)  6.22          _              _            true\n  1       1     A_g        1       1     B_{1g}       (n \\rightarrow \\pi^\\star)               5.01          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.29          _              _            false\n  1       1     A_g        1       1     B_{2g}       (n \\rightarrow \\pi^\\star)               5.56          _              _            false\n  1       1     A_g        2       1     A_u          (n \\rightarrow \\pi^\\star)               5.61          _              _            false\n  1       1     A_g        1       1     B_{3g}       (n,n \\rightarrow \\pi^\\star, \\pi^\\star)  7.64          _              _            true\n  1       1     A_g        2       1     B_{2g}       (n \\rightarrow \\pi^\\star)               6.24          _              _            false\n  1       1     A_g        2       1     B_{1g}       (n \\rightarrow \\pi^\\star)               7.04          _              _            false\n  1       1     A_g        1       3     B_{3u}       (n \\rightarrow \\pi^\\star)               1.87          _              _            false\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               3.48          _              _            false\n  1       1     A_g        1       3     B_{1g}       (n \\rightarrow \\pi^\\star)               4.25          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.54          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             4.65          _              _            false\n  1       1     A_g        1       3     B_{2g}       (n \\rightarrow \\pi^\\star)               5.11          _              _            false\n  1       1     A_g        2       3     A_u          (n \\rightarrow \\pi^\\star)               5.17          _              _            false\n  1       1     A_g        1       3     B_{3g}       (n,n \\rightarrow \\pi^\\star, \\pi^\\star)  7.35          _              _            true\n  1       1     A_g        2       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             5.51          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.89          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.44          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Pyridine\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.22          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.40          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.33          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.84          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          6.38          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.88          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.56          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.42          _              _            false\n  1       1     A_1        4       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.56          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.66          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.72          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.08          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.33          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.36          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.40          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_TBE_aug-cc-pVTZ.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.47          89.8           0.006        false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.69          87.9           _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V}; n,n \\rightarrow \\pi^\\star, \\pi^\\star) 4.61          0.7            _            true\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.93          83.1           _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.21          85.4           0.055        false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.45          81.7           _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.53          87.7           _            false\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V}; n,n \\rightarrow \\pi^\\star, \\pi^\\star) 6.15          0.7            _            true\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.12          80.2           _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.91          85.1           _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.85          97.1           _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.45          96.3           _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.20          97.0           _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.49          98.5           _            true\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.52          97.5           _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.04          96.4           _            false\n  1       1     A_g        2       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.11          96.6           _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V}; n,n \\rightarrow \\pi^\\star, \\pi^\\star) 5.51          5.7            _            true\n  1       1     A_g        2       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.42          96.6           _            false\n",
 "/QUESTDB_website/data/abs/naphthalene_CC2_aug-cc-pVTZ.dat": "# Molecule : Naphthalene\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.45          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.82          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.56          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.87          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.12          _              _            true\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{R};\\pi \\rightarrow 3p)         5.97          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{R};\\pi \\rightarrow 3p)         5.94          _              _            false\n  1       1     A_g        2       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.08          _              _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{R};\\pi \\rightarrow 3s)         6.27          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.40          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.50          _              _            false\n  1       1     A_g        3       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.16          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.32          _              _            true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.34          _              _            true\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.64          _              _            true\n  1       1     A_g        2       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.86          _              _            true\n  1       1     A_g        2       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.98          _              _            true\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.71          _              _            true\n  1       1     A_g        2       3     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.12          _              _            true\n  1       1     A_g        2       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.57          _              _            true\n",
 "/QUESTDB_website/data/abs/cf2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.05          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.74          _              _            false\n",
 "/QUESTDB_website/data/abs/water_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Water\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           7.40          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           9.12          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3s)           9.76          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3s)           7.10          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3p)           9.09          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R};n \\rightarrow 3s)           9.43          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.74          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.08          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.29          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.29          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.56          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.96          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.81          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.45          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.76          _              _            true\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.97          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.08          _              _            false\n",
 "/QUESTDB_website/data/abs/nco_U-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{NCO}\n# Comment  : \n# code     : \n# method   : U-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Pi        1       2     \\Sigma^+     _                                       2.94          _              _            false\n  1       2     \\Pi        2       2     \\Pi          _                                       4.80          _              _            false\n",
 "/QUESTDB_website/data/abs/allyl_U-CCSD_aug-cc-pVTZ.dat": "# Molecule : Allyl\n# Comment  : \n# code     : \n# method   : U-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A_2        1       2     B_1          _                                       3.70          _              _            false\n  1       2     A_2        1       2     A_1          _                                       5.12          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.61          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.50          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.04          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.12          _              _            true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.68          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.75          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.59          _              0.001        false\n",
 "/QUESTDB_website/data/abs/pyridazine_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.91          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.46          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.36          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.84          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.27          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.46          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.81          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Benzene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.06          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             6.45          _              _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\pi \\rightarrow 3s)                    6.52          _              _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\pi \\rightarrow 3p)                    7.08          _              _            false\n  1       1     A_{1g}     1       1     E_{2u}       (\\pi \\rightarrow 3p)                    7.15          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [QM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.39          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CC3_aug-cc-pVTZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.84          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_PC-NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.26          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.99          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.70          _              _            false\n  1       1     A^\\prime   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.87          _              _            false\n  1       1     A^\\prime   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.21          _              _            false\n  1       1     A^\\prime   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.25          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.37          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.64          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.53          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_CC3_6-31+G(d).dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.94          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.39          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_exp.dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               4.2           _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             5.12          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow \\pi^\\star)               6.05          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.7           _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : CFOUR\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             4.31          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    5.48          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3p)                    5.99          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.10          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             3.50          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.74          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.99          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.39          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.91          92.1           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.48          98.7           _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CC3_aug-cc-pVDZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               2.00          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.75          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (n \\rightarrow 3s/3p)                   6.20          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.13          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.54          _              _            false\n",
 "/QUESTDB_website/data/abs/nitromethyl_U-CC3_aug-cc-pVTZ.dat": "# Molecule : Nitromethyl\n# Comment  : \n# code     : \n# method   : U-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_1        1       2     B_2          _                                       2.06          _              _            false\n  1       2     B_1        1       2     A_2          _                                       2.47          _              _            false\n  1       2     B_1        1       2     A_1          _                                       2.56          _              _            false\n  1       2     B_1        2       2     B_1           _                                       5.38          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_CC3_aug-cc-pVDZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               2.27          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 4s)                      5.80          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.62          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               1.97          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             3.43          _              _            false\n  1       1     A_1        1       3     B_2          (n \\rightarrow 4s)                      5.64          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Formamide\n# Comment  : \n# code     : MRCC\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.67          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s)           6.83          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.68          _              _            true\n  1       1     A^\\prime   4       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3p)           7.46          _              _            true\n",
 "/QUESTDB_website/data/abs/cyclopentadienone_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienone\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.14          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.81          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.74          _              _            true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.50          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.83          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.31          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CCSDTQ_6-31+G(d).dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.02          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.28          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           8.04          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.34          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           8.72          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 9.35          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.78          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.66          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.10          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.11          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.86          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.20          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3d)           8.53          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_XMS-CASPT2_6-31+G(d)_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : XMS-CASPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.87         _              _            false\n",
 "/QUESTDB_website/data/abs/nitromethyl_RO-CC3_aug-cc-pVTZ.dat": "# Molecule : Nitromethyl\n# Comment  : \n# code     : \n# method   : RO-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_1        1       2     B_2          _                                       2.05          _              _            false\n  1       2     B_1        1       2     A_2          _                                       2.46          _              _            false\n  1       2     B_1        1       2     A_1          _                                       2.55          _              _            false\n  1       2     B_1        2       2     B_1           _                                       5.36          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CC3_aug-cc-pVQZ.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               2.88          _              _            false\n  1       1     A_g        1       1     B_g          (n \\rightarrow \\pi^\\star)               4.27          _              _            false\n  1       1     A_g        2       1     A_g          (n,n  \\rightarrow \\pi^\\star,\\pi^\\star)  6.76          _              _            true\n  1       1     A_g        2       1     B_g          (n \\rightarrow \\pi^\\star)               6.59          _              _            false\n  1       1     A_g        1       1     B_u          (n \\rightarrow3p)                       7.72          _              _            false\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               2.49          _              _            false\n  1       1     A_g        1       3     B_g          (n \\rightarrow \\pi^\\star)               3.91          _              _            false\n  1       1     A_g        1       3     B_u          (\\pi \\rightarrow \\pi^\\star)             5.18          _              _            false\n  1       1     A_g        1       3     A_g          (\\pi \\rightarrow \\pi^\\star)             6.31          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.70          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.00          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.40          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.09          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c3_CC3_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C3\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.82          87.2           0.755        false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.44          98.0           _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_TBE(Full)_CBS.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.54          88.9           _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 4s)          5.61          91.3           0.052        false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.86          90.6           0.242        false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 4p)          6.52          92.4           0.028        false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 4p)          6.64          91.6           0.023        false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.34          97.4           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.46          98.7           _            false\n",
 "/QUESTDB_website/data/abs/maleimide_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Maleimide\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.19          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.92          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.24          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.52          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.41          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.99          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.93          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.67          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.71          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.97          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.69          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.88          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.51          _              _            false\n",
 "/QUESTDB_website/data/abs/triazine_CC3_aug-cc-pVTZ.dat": "# Molecule : Triazine\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.73          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.74          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.78          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.78          _              _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.24          _              _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          7.35          _              _            false\n  1       1     A_1^\\prime 2       1     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   7.79          _              _            false\n  1       1     A_1^\\prime 2       1     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.92          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.33          _              _            false\n  1       1     A_1^\\prime 1       3     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.51          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.75          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.88          _              _            false\n  1       1     A_1^\\prime 1       3     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.61          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.63          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_FCI_aug-cc-pVDZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.99          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.81          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (n \\rightarrow 3s/3p)                   6.29          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.15          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.56          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.98          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.31          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.50          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.31          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.99          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c3_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C3\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.41          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.31          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.02          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.23          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.37          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.47          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_TBE_aug-cc-pVTZ.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.15          90.1           0.006        false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.98          88.6           _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.02          86.9           0.078        false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.71          85.6           _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{R}; n \\rightarrow 3s)          6.65          91.1           _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.74          84.2           _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.88          92.8           0.063        false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        7.21          93.8           _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{R}; n \\rightarrow 3p)          7.24          90.8           0.037        false\n  1       1     A_g        2       1     B_{1u}       (\\mathrm{R}; n \\rightarrow 3p)          7.44          91.4           0.128        false\n  1       1     A_g        3       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.98          90.5           0.285        true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.59          97.3           _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.35          98.5           _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.39          97.6           _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.93          96.1           _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.08          97.0           _            false\n  1       1     A_g        2       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.28          97.0           _            false\n",
 "/QUESTDB_website/data/abs/aza-naphthalene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Aza-naphthalene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.55          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.33          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.67          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.91          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.40          _              _            false\n  1       1     A_g        2       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.93          _              _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.76          _              _            false\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.72          _              _            true\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.88          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.39          _              _            false\n  1       1     A_g        3       1     A_g          (\\mathrm{R};n \\rightarrow 3s)           6.87          _              _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.36          _              _            true\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.86          _              _            true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.96          _              _            true\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.12          _              _            true\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.71          _              _            true\n  1       1     A_g        2       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.10          _              _            true\n  1       1     A_g        2       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.93          _              _            true\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.21          _              _            true\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CC3_6-31+G(d).dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.66          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.19         _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.28         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            10.89         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.53         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.83         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.35          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.49          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.44          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.94          _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.33         _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : SCS-CC2 [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.47          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.21          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.46          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.38          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.87          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.61          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.80          _              _            false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.75          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.02          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.55          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c5_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C5\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.60          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.68          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               2.06          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.82          _              _            false\n",
 "/QUESTDB_website/data/abs/triazine_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Triazine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.71          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.84          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.80          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.80          _              _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.98          _              _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          7.29          _              _            false\n  1       1     A_1^\\prime 2       1     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.77          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.32          _              _            false\n  1       1     A_1^\\prime 1       3     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.50          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.56          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.04          _              _            false\n  1       1     A_1^\\prime 1       3     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.57          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.45          _              _            false\n",
 "/QUESTDB_website/data/abs/naphthalene_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Naphthalene\n# Comment  : \n# code     : \n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.19          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.76          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.49          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.80          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.63          _              _            true\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{R};\\pi \\rightarrow 3p)         5.92          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{R};\\pi \\rightarrow 3p)         5.89          _              _            false\n  1       1     A_g        2       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.09          _              _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{R};\\pi \\rightarrow 3s)         6.19          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.31          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.39          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.92          _              _            true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.90          _              _            true\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.23          _              _            true\n  1       1     A_g        2       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.39          _              _            true\n  1       1     A_g        2       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.68          _              _            true\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.23          _              _            true\n  1       1     A_g        2       3     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.15          _              _            true\n  1       1     A_g        2       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.16          _              _            true\n",
 "/QUESTDB_website/data/abs/benzene_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Benzene\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.32          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.61          _              _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        6.57          _              _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.08          _              _            false\n  1       1     A_{1g}     1       1     E_{2u}       (\\mathrm{R}; \\pi \\rightarrow 3p)        7.14          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.47          _              _            false\n  1       1     A_{1g}     1       3     E_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.12          _              _            false\n  1       1     A_{1g}     1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.95          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienone_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienone\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.15          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.87          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.72          _              _            true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.43          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.80          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.31          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CCSDTQ_6-31+G(d).dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : CFOUR\n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               2.94          _              _            false\n  1       1     A_g        1       1     B_g          (n \\rightarrow \\pi^\\star)               4.31          _              _            false\n  1       1     A_g        2       1     A_g          (n,n  \\rightarrow \\pi^\\star,\\pi^\\star)  5.67          _              _            true\n  1       1     A_g        2       1     B_g          (n \\rightarrow \\pi^\\star)               6.79          _              _            false\n  1       1     A_g        1       1     B_u          (n \\rightarrow 3p)                      7.76          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_CC3_aug-cc-pVQZ.dat": "# Molecule : Benzene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.09          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             6.43          _              _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\pi \\rightarrow 3s)                    6.54          _              _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\pi \\rightarrow 3p)                    7.10          _              _            false\n  1       1     A_{1g}     1       1     E_{2u}       (\\pi \\rightarrow 3p)                    7.16          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.19          _              _            false\n  1       1     A_{1g}     1       3     E_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.87          _              _            false\n  1       1     A_{1g}     1       3     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.81          _              _            false\n",
 "/QUESTDB_website/data/abs/nh2_U-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{NH2}\n# Comment  : \n# code     : \n# method   : U-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     B_1        1       2     A_1          _                                       2.13          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienethione_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienethione\n# Comment  : \n# code     : \n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.59          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.51          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.70          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.32          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.76          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.37          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_CCSD_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.97          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           6.09          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.29          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.83          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.55          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.89          _              _            false\n  1       1     A_1        2       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.25          _              _            false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.94          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.24          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.90          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.17          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.97          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.71          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : CFOUR\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (n \\rightarrow \\pi^\\star)               4.13          _              _            false\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               4.97          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.02          _              _            false\n  1       1     A_g        2       1     A_g          (n \\rightarrow 3s)                      6.71          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             6.85          _              _            false\n  1       1     A_g        2       1     B_{2u}       (n \\rightarrow 3p)                      7.30          _              _            false\n  1       1     A_g        2       1     B_{1u}       (n \\rightarrow 3p)                      7.49          _              _            false\n  1       1     A_g        3       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             7.93          _              _            false\n  1       1     A_g        1       3     B_{3u}       (n \\rightarrow \\pi^\\star)               3.59          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.39          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             4.40          _              _            false\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               4.93          _              _            false\n  1       1     A_g        1       3     B_{2g}       (n \\rightarrow \\pi^\\star)               5.07          _              _            false\n  1       1     A_g        2       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             5.28          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c5_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C5\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.69          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_CCSDT_6-31+G(d).dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     _                                       6.04          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       _                                       6.31          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     _                                       4.45          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       _                                       5.34          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Acetone\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.44          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.39          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          7.36          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          7.38          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          7.50          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.06          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.19          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.88          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.08          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.98          _              _            false\n",
 "/QUESTDB_website/data/abs/beryllium_NEVPT2_6-31+G(d)_double.dat": "# Molecule : Beryllium\n# Comment  : \n# code     : \n# method   : NEVPT2,6-31+G(d)\n# geom     : \n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     S          1       1     D            (2s,2s \\rightarrow 2p,2p)               8.01          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienone_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienone\n# Comment  : \n# code     : \n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.86          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.46          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.46          _              _            true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.17          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.53          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.08          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.72          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s/3p)        6.48          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    0.84          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.04          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : MRCC\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.16          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : MOLPRO\n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    5.51          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.32          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.44          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.48          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.53          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    6.62          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.74          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    5.49          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.56          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3p)                    6.28          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [QM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.24          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.87          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.16          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.78          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridazine_CC2_aug-cc-pVTZ.dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.78          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.26          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.43          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.79          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.59          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.33          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.86          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.18          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.01          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.61          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.07          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.10          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    5.35          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.82          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow \\pi^\\star)             2.84          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.04          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3s)                    5.20          _              _            false\n  1       1     A_1        2       3     A_1          (\\pi \\rightarrow 3p)                    6.83          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridazine_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.78          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.26          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.43          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.79          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.59          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.33          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.86          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.18          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.01          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.07          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CC3(Full)_d-aug-cc-pVQZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               3.96          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      7.23          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3p)                      8.06          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      8.20          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 3p)                      8.45          _              _            false\n  1       1     A_1        1       1     B_1          (\\sigma \\rightarrow \\pi^\\star)          9.18          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             9.31          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.57          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.06          _              _            false\n  1       1     A_1        1       3     B_2          (n \\rightarrow 3s)                      7.09          _              _            false\n  1       1     A_1        2       3     B_2          (n \\rightarrow 3p)                      7.96          _              _            false\n  1       1     A_1        2       3     A_1          (n \\rightarrow 3p)                      8.11          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3d)                      8.41          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.72          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.62          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          6.96          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.39          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.85          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.08          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 4.04          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.52          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.91          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.52          _              _            false\n",
 "/QUESTDB_website/data/abs/cno_U-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{CNO}\n# Comment  : \n# code     : \n# method   : U-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     \\Sigma^+   2       2     \\Sigma^+     _                                       1.75          _              _            false\n  1       2     \\Sigma^+   1       2     \\Pi          _                                       5.52          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_exp.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow 4s)                      6.33          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_TBE(Full)_CBS.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.12          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.80          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_CCSDT_6-31+G(d).dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   _                                       5.58          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     _                                       5.85          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   _                                       4.08          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     _                                       4.93          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.35          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.91          _              _            false\n  1       1     A_{1g}     1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.03          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.53          _              _            false\n  1       1     A_{1g}     1       3     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.24          _              _            false\n  1       1     A_{1g}     1       3     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.98          _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_CC2_aug-cc-pVTZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.47          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.14          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_PC-NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVTZ\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi\\rightarrow \\pi^\\star,\\pi^\\star) 5.64          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : MRCC\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 4p)           6.37          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 4s)           6.34          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 4p)           5.91          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 4s)           5.96          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_TBE_aug-cc-pVTZ.dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.44          88.6           0.005        false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.85          88.5           _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.38          86.3           0.028        false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.92          86.7           _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.26          86.7           0.005        false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.70          90.3           0.005        false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.88          91.5           0.036        false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.09          96.8           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.51          98.3           _            true\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.66          96.5           _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.96          97.4           _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_FCI_aug-cc-pVDZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   _                                       6.44          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     _                                       6.74          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   _                                       4.87          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.83          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.25          _              _            false\n  1       1     A_g        2       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.65          _              _            false\n  1       1     A_g        1       1     B_u          (\\mathrm{R}; n \\rightarrow 3p)          7.52          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.40          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.83          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.08          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.19          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_CC3_aug-cc-pV5Z.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.92          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.50          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_TBE(Full)_CBS.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.57          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.41          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.23          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.32          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : MOLPRO\n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (n \\rightarrow \\pi^\\star)               4.17          _              _            false\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               4.77          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.32          _              _            false\n  1       1     A_g        1       1     B_{2g}       (n \\rightarrow \\pi^\\star)               5.88          _              _            false\n  1       1     A_g        2       1     A_g          (n \\rightarrow 3s)                      6.70          _              _            false\n  1       1     A_g        1       1     B_{1g}       (n \\rightarrow \\pi^\\star)               6.75          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             6.81          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\pi \\rightarrow 3s)                    7.33          _              _            false\n  1       1     A_g        2       1     B_{2u}       (n \\rightarrow 3p)                      7.25          _              _            false\n  1       1     A_g        2       1     B_{1u}       (n \\rightarrow 3p)                      7.42          _              _            false\n  1       1     A_g        3       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             8.25          _              _            false\n  1       1     A_g        1       3     B_{3u}       (n \\rightarrow \\pi^\\star)               3.56          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.57          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             4.42          _              _            false\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               4.75          _              _            false\n  1       1     A_g        1       3     B_{2g}       (n \\rightarrow \\pi^\\star)               5.21          _              _            false\n  1       1     A_g        2       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             5.35          _              _            false\n",
 "/QUESTDB_website/data/abs/acetone_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Acetone\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.48          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.43          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          7.45          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          7.48          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          7.59          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.15          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.28          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : MRCC\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.38          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.71          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_CC3_aug-cc-pVTZ_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     3.05          0              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     3.26          0              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.67          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.85          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.85          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_CC3_aug-cc-pV5Z.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.16          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.80          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_TBE_aug-cc-pVTZ.dat": "# Molecule : Propynal\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.80          89.0           0.000        false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.54          92.9           0.000        false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.47          97.4           _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.47          98.3           _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_CC2_aug-cc-pVTZ.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.97          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.74          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.51          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.34          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CC3_t-aug-cc-pVQZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : Dalton\n# method   : CC3,t-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 4p)                      6.15          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow 4s)                      6.29          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 4p)                      5.80          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 4s)                      5.93          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_CCSDT_6-31+G(d).dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.94          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.39          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : MRCC\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.40          _              _            false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           7.87          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           9.05          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 4s)           9.67          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.16          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.91          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.44          _              _            false\n  1       1     A_g        2       1     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.51          _              _            false\n  1       1     A_g        1       1     B_u          (\\mathrm{R}; n \\rightarrow 3p)          7.16          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.47          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.96          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.42          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.56          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.27          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.54          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.21          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.58          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          6.88          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          6.88          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.13          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.95          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.85          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.32          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.73          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.95          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.82          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.27          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s)           7.08          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.67          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.10          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.25          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.16          _              _            true\n",
 "/QUESTDB_website/data/abs/nitroxyl_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.74          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R})                            6.33          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    0.84          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.73          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_exp.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             3.95          _              _            false\n  1       1     A_{1g}     1       3     E_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.75          _              _            false\n  1       1     A_{1g}     1       3     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.60          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.04          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.43          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.72          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.72          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.92          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.29          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.72          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               2.57          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 4s)                      5.43          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.98          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 4p)                      6.44          _              _            false\n  1       1     A_1        3       1     A_1          (n \\rightarrow 4p)                      6.53          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               2.35          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             3.50          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.16          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.26          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.09          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.57          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.70          _              _            false\n  1       1     A_g        2       1     B_u          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.63          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.45          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.30          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.21          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.40          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridazine_TBE_aug-cc-pVTZ.dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.83          89.0           0.005        false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.37          86.9           _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.26          85.8           0.016        false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.72          86.2           _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.17          88.5           0.001        false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.37          87.0           0.004        false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.75          90.6           0.010        false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.19          97.1           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.11          96.2           _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.34          98.5           _            true\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.82          97.3           _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.09          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.06          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           8.01          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.01          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           8.48          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V})                            9.31          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.62          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.72          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.10          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.97          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.90          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.96          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R})                            8.66          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_CCSDT_6-31+G(d).dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.57          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CC2_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.98          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s/3p)        5.84          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.12          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.74          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_CCSDTQ_6-31+G(d).dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.08          _              _            false\n",
 "/QUESTDB_website/data/abs/water_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Water\n# Comment  : \n# code     : \n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.18          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          8.84          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.52          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; n \\rightarrow 3s)          6.86          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; n \\rightarrow 3p)          8.72          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.15          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_FCI_6-31+G(d).dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   _                                       5.52          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     _                                       5.84          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   _                                       4.04          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     _                                       4.94          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.56          _              _            false\n  1       1     A_1        1       1     E            (\\mathrm{R};n \\rightarrow 3p)           8.07          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           9.19          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3s)           9.85          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 3s)           6.36          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CASPT2_aug-cc-pVTZ_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.17         _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.87          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R})                            6.07          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.03          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.81          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.86          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.59          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.13          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.26          _              _            true\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.84          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.87          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.34          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.63          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.97          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.01          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.20          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.50          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         7.09          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_FCI_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               2.0           _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.72          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (n \\rightarrow 3s/3p)                   6.4           _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.16          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.60          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.90          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.62          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           8.45          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.61          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           9.02          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 9.17          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.05          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.48          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.71          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.44          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{R};n \\rightarrow 3p)           8.23          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.46          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3d)           8.32          _              _            false\n",
 "/QUESTDB_website/data/abs/imidazole_TBE_aug-cc-pVTZ.dat": "# Molecule : Imidazole\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.71          93.0           0.001        false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.41          89.6           0.124        false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.50          93.6           0.028        false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R}; \\pi \\rightarrow 3p)        6.83          88.9           0.035        true\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.73          98.3           _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.66          97.6           _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.74          97.9           _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.31          97.3           _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_CC3_6-31+G(d)_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     6.65          0              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     7.20          1              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_SC-NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   8.07          _              _            false\n  1       1     A_g        3       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 9.05          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.92          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.50          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.53          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.47          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           7.99          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 9.17          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.46          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.46          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.20          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.39          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.41          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.40          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3d)           8.39          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.59          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.80          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.44          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.60          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.65          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.11          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.79          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.86          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.47          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_FCI_aug-cc-pVDZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.82          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacrolein_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Thioacrolein\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.17          _              _            false\n",
 "/QUESTDB_website/data/abs/water_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Water\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.51          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          9.23          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.87          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.13          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; n \\rightarrow 3p)          9.07          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.43          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.31          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.44          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.95          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.50          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.74          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_FCI_aug-cc-pVDZ_double.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.84          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_XMS-CASPT2_aug-cc-pVQZ_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : XMS-CASPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.34         _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.41          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.76          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 0.91          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.62          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_FCI_aug-cc-pVTZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.84          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_CC3_aug-cc-pVTZ_double.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   6.21          1              _            false\n  1       1     A_g        1       1     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 7.62          1              _            false\n  1       1     A_g        1       3     B_{3g}       (n,n \\rightarrow \\pi^\\star_1,\\pi^\\star_2) 7.35          6              _            false\n",
 "/QUESTDB_website/data/abs/acetone_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Acetone\n# Comment  : \n# code     : CFOUR\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               4.48          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 3s)                      6.49          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow 3p)                      7.49          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      7.53          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3p)                      7.61          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               4.16          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             6.28          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.47          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 4s)          5.47          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.87          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 4p)          6.43          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 4p)          6.48          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.20          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.52          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_exp.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\pi \\rightarrow 3s)                    7.11          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             7.60          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\pi \\rightarrow 3p)                    7.80          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.36          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\pi \\rightarrow 3s)                    6.98          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\pi \\rightarrow 3p)                    7.79          _              _            false\n",
 "/QUESTDB_website/data/abs/benzene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Benzene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.03          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.31          _              _            false\n  1       1     A_{1g}     1       1     E_{1g}       (\\mathrm{R};\\pi \\rightarrow 3s)         6.63          _              _            false\n  1       1     A_{1g}     1       1     A_{2u}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.15          _              _            false\n  1       1     A_{1g}     1       1     E_{2u}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.23          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.32          _              _            false\n  1       1     A_{1g}     1       3     E_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.99          _              _            false\n  1       1     A_{1g}     1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.96          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : MRCC\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.29          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.61          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.90          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.46          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.96          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.93          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.31          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.50          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.50          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.33          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.23          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.39          _              _            true\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.78          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : MRCC\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.48          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.26         _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.79         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            12.99         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.32         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.07         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            14.00         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.15          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.20          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.25          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.23         _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         5.37          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         5.98          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.07          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.28          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.19          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.79          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.55          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         5.36          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.36          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         5.94          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CCSDTQ_6-31+G(d).dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 4p)           6.46          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 4s)           6.05          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 4p)           6.00          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 4s)           5.66          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.45          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.56          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.06          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.24          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.47          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          5.93          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.34          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.55          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.62          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.12          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.04          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.64          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.56          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.16          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           8.04          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 9.38          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.08          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.58          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.27          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.66          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.52          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.68          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3d)           8.57          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_CC3_aug-cc-pVDZ.dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               4.48          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               4.89          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             5.44          _              _            false\n  1       1     A_1        2       1     A_2          (n \\rightarrow \\pi^\\star)               5.98          _              _            false\n  1       1     A_1        2       1     B_1          (n \\rightarrow \\pi^\\star)               6.29          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3s)                      6.61          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.93          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               4.12          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.56          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               4.67          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             5.00          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_CCSDT_aug-cc-pVDZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.69          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.39          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.19          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.31          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         5.43          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.06          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.13          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.37          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.40          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};\\pi \\rightarrow 3p)         6.91          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.68          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         5.41          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.51          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.02          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : MRCC\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.51          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.98          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.11         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            11.02         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.55         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.76         _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_CC2_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.72          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.02          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.35          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Formamide\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.39          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.19          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.82          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_exp.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : experimental\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (n \\rightarrow \\pi^\\star)               2.35          _              _            false\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               3.6           _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             4.97          _              _            false\n  1       1     A_g        2       1     A_u          (n \\rightarrow \\pi^\\star)               5.5           _              _            false\n  1       1     A_g        1       1     B_{3g}       (n,n \\rightarrow \\pi^\\star, \\pi^\\star)  5.92          _              _            true\n  1       1     A_g        1       3     B_{3u}       (n \\rightarrow \\pi^\\star)               1.7           _              _            false\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               2.90          _              _            false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.97          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.29          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.95          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.32          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.53          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.20          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.06          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.79          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.20          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.84          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.49          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.72          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.37          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.01          _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_CC3_aug-cc-pVQZ.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.64          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             5.94          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    6.16          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.11          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.22          _              _            false\n  1       1     A_1        2       1     B_1          (\\pi \\rightarrow 3s)                    6.53          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    7.18          _              _            false\n  1       1     A_1        3       1     A_1          (\\pi \\rightarrow \\pi^\\star)             7.33          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             3.93          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.77          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3p)                    5.92          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    5.99          _              _            false\n",
 "/QUESTDB_website/data/abs/imidazole_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Imidazole\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{R}; \\pi \\rightarrow 3s)        5.72          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.46          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.51          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R}; \\pi \\rightarrow 3p)        6.91          _              _            false\n",
 "/QUESTDB_website/data/abs/diazomethane_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.37          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.80          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.15          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.03          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.23          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         5.64          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         7.14          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.32          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.65          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_TBE_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.96          93.0           0.000        false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V};n,n \\rightarrow \\pi^\\star,\\pi^\\star) 4.72          2.5            0.000        true\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s/3p)        6.40          90.8           0.006        false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.16          98.4           _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.60          98.9           _            false\n",
 "/QUESTDB_website/data/abs/hccl_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.84          _              _            false\n",
 "/QUESTDB_website/data/abs/sicl2_TBE(Full)_CBS.dat": "# Molecule : \\ce{SiCl2}\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.93          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.50          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.93          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.54          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.59          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.37          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacrolein_TBE_aug-cc-pVTZ.dat": "# Molecule : Thioacrolein\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.11          86.4           0.000        false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.91          96.9           _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.24          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.80          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.57          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.86          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.45          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.62          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CCSDTQ_aug-cc-pVTZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};n \\rightarrow 4p)           6.18          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 4s)           6.24          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};n \\rightarrow 4p)           5.81          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 4s)           5.88          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.44          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.86          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.41          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.93          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.26          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.72          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.87          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.10          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.66          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.96          _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_TBE(Full)_CBS.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.48          94.1           0.006        false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.00          94.2           0.228        false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.54          98.9           _            false\n",
 "/QUESTDB_website/data/abs/hsif_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.02          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Pyridine\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.20          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.17          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.53          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.61          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R};n \\rightarrow 3s)           6.73          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         6.84          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         7.39          _              _            false\n  1       1     A_1        4       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.62          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.45          _              _            true\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.50          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.71          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.95          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.22          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.51          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.44          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CC3_6-31+G(d)_double.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.73          2              _            false\n",
 "/QUESTDB_website/data/abs/thioacrolein_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Thioacrolein\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.27          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.06          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Formamide\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.66          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.38          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.82          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.13          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.21          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.88          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.67          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{R}; n \\rightarrow 3s)          6.96          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   7.00          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.66          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        7.18          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.52          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.05          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.10          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.15          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : MOLPRO\n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             5.65          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    5.92          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.42          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.59          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    6.60          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.75          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             3.41          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.30          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    5.73          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3p)                    6.40          _              _            false\n",
 "/QUESTDB_website/data/abs/water_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Water\n# Comment  : \n# code     : \n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.51          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          9.23          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.87          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.13          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; n \\rightarrow 3p)          9.07          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.43          _              _            false\n",
 "/QUESTDB_website/data/abs/propynal_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Propynal\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.78          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.73          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.38          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.67          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_MS-CASPT2_aug-cc-pVQZ_double.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : \n# method   : MS-CASPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 13.21         _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.95          _              _            false\n",
 "/QUESTDB_website/data/abs/hccl_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCCl}\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.06          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.39          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.91          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_CCSDT_6-31+G(d)_double.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi,\\pi)           6.63          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_CC3_aug-cc-pVDZ_double.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi \\rightarrow \\pi,\\pi)           6.68          76             _            false\n",
 "/QUESTDB_website/data/abs/ethylene_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_{1g}     1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.17          _              _            false\n  1       1     A_{1g}     1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.69          _              _            false\n  1       1     A_{1g}     1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.84          _              _            false\n  1       1     A_{1g}     1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.28          _              _            false\n  1       1     A_{1g}     1       3     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.05          _              _            false\n  1       1     A_{1g}     1       3     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.80          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.15          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.80          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.88          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.47          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.79          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.33          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          6.43          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3p)          6.41          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.10          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.62          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.90          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.28          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.84          _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.69          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.99          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.15          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.18          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.28          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.52          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.31          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.42          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_CC3_aug-cc-pVDZ.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             4.32          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    5.35          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3p)                    5.86          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow  \\pi^\\star)            6.15          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             3.49          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.74          _              _            false\n",
 "/QUESTDB_website/data/abs/vinyl_TBE_aug-cc-pVTZ.dat": "# Molecule : Vinyl\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A^{\\prime\\prime}   2       2     A^{\\prime\\prime} _                                       3.26          _              _            false\n  1       2     A^{\\prime\\prime}   3       2     A^{\\prime\\prime} _                                       4.69          _              _            false\n  1       2     A^{\\prime\\prime}   1       2     A^\\prime     _                                       6.20          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_FCI_6-31+G(d)_double.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.86          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.17          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.88          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.47          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.87          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{R}; n \\rightarrow 3s)          6.30          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.67          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.88          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{R}; \\pi \\rightarrow 3s)        7.27          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.62          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.57          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.59          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.84          _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.68          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.06          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    6.06          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.17          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.31          _              _            false\n  1       1     A_1        2       1     B_1          (\\pi \\rightarrow 3s)                    6.41          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    7.44          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             3.94          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.81          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3p)                    5.99          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    6.00          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.54          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.06          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.33          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.08          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.52          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          7.11          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.52          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.12          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.73          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.63          _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.58          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.27          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.15          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.20          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.24          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.63          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.22          _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         6.62          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         7.07          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.55          _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime    1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.36          _              _            false\n  1       1     A^\\prime    1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.96          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_CCSDT_6-31+G(d).dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.66          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_CC3_aug-cc-pVQZ.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             5.53          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    5.79          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.42          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.46          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    6.55          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.57          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             3.32          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.13          _              _            false\n  1       1     A_1        1       3     A_2          (\\pi \\rightarrow 3s)                    5.75          _              _            false\n  1       1     A_1        1       3     B_1          (\\pi \\rightarrow 3p)                    6.38          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.16          _              _            false\n  1       1     A_g        1       1     B_g          (\\mathrm{R};\\pi \\rightarrow 3s)         6.44          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.23          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3p)         6.78          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3p)         6.92          _              _            false\n  1       1     A_g        2       1     B_u          (\\mathrm{R};\\pi \\rightarrow 3p)         7.74          _              _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.43          _              _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.13          _              _            false\n  1       1     A_g        1       3     B_g          (\\mathrm{R};\\pi \\rightarrow 3s)         6.42          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_PC-NEVPT2_6-31+G(d)_double.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.92          _              _            false\n",
 "/QUESTDB_website/data/abs/formylfluoride_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Formylfluoride\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.00          _              _            false\n  1       1     A^\\prime   1       3     A{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.60          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_PC-NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   8.12          _              _            false\n  1       1     A_g        3       1     A_g          (\\pi,\\pi \\rightarrow \\pi^\\star,\\pi^\\star) 9.07          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_FCI_aug-cc-pVDZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.60          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_exp.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.71          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             6.41          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (n \\rightarrow 3s)                      7.08          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    9.33          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.89          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.30         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            13.00         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.14         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.12         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.45         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.69          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.03          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.87          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.68          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_FCI_aug-cc-pVDZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.84          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow 3s)                      5.88          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    7.08          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.79          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.64          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3s)                      5.68          _              _            false\n  1       1     A_1        2       3     A_2          (\\pi \\rightarrow 3p)                    7.07          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.73          _              _            false\n",
 "/QUESTDB_website/data/abs/thiophene_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Thiophene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.67          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.93          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.09          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.13          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.24          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.47          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.26          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.88          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.71          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.96          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.04          _              _            false\n",
 "/QUESTDB_website/data/abs/triazine_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Triazine\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.62          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.76          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.74          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.45          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.32          _              _            false\n  1       1     A_1^\\prime 1       3     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.47          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.43          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.69          _              _            false\n  1       1     A_1^\\prime 1       3     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.61          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.60          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.81          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             6.46          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_CC3_aug-cc-pVDZ.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.77          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             6.67          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               6.75          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (n \\rightarrow 3s)                      6.99          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.47          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             3.95          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             6.22          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               6.60          _              _            false\n",
 "/QUESTDB_website/data/abs/ethylene_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\pi \\rightarrow 3s)                    7.39          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             7.91          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\pi \\rightarrow 3p)                    8.05          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.53          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\pi \\rightarrow 3s)                    7.28          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\pi \\rightarrow 3p)                    8.00          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_TBE(Full)_CBS.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.29          85.4           0.011        false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.47          93.6           0.005        false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.98          93.3           _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.03          92.8           0.224        true\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.50          97.2           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.75          98.6           _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (n \\rightarrow \\pi^\\star)               9.41          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             10.06         _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             10.44         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R})                            13.20         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            13.17         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R})                            13.13         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.59         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\pi \\rightarrow \\pi^\\star)             7.68          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (n \\rightarrow \\pi^\\star)               8.06          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             8.96          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             9.76          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.03          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.70          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_TBE_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.98          91.5           _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.23          91.7           0.021        false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           8.13          92.4           0.037        false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.23          91.9           0.052        false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           8.67          91.7           _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 9.22          90.8           0.001        false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.43          90.4           0.135        false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.58          98.1           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.06          99.0           _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.06          97.1           _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.94          97.4           _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.10          97.2           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3d)           8.42          97.9           _            false\n",
 "/QUESTDB_website/data/abs/furan_CC3_aug-cc-pVTZ.dat": "# Molecule : Furan\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.08          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.34          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.58          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.63          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.80          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.23          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.22          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.48          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.02          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.59          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             7.12          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             5.47          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_TBE(Full)_CBS.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.04          87.5           0.000        false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.81          97.2           _            false\n",
 "/QUESTDB_website/data/abs/hcp_CC3(Full)_aug-cc-pCVQZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pCVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.81          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.09          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.44          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.20          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrazine_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Pyrazine\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (n \\rightarrow \\pi^\\star)               4.15          _              _            false\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               4.98          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.02          _              _            false\n  1       1     A_g        1       1     B_{2g}       (n \\rightarrow \\pi^\\star)               5.71          _              _            false\n  1       1     A_g        2       1     A_g          (n \\rightarrow 3s)                      6.65          _              _            false\n  1       1     A_g        1       1     B_{1g}       (n \\rightarrow \\pi^\\star)               6.74          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             6.88          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\pi \\rightarrow 3s)                    7.21          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.69          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.03         _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.30         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            11.32         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.83         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            12.03         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.45          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.54          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.33          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.01         _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.83         _              _            false\n",
 "/QUESTDB_website/data/abs/water_CCSDT_aug-cc-pVQZ.dat": "# Molecule : Water\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow 3s)                      7.64          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3p)                      9.41          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3s)                      9.98          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3s)                      7.26          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3p)                      9.25          _              _            false\n  1       1     A_1        1       3     A_1          (n \\rightarrow 3s)                      9.54          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.14          _              _            false\n",
 "/QUESTDB_website/data/abs/ammonia_exp.dat": "# Molecule : Ammonia\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3s)                      6.38          _              _            false\n  1       1     A_1        1       1     E            (n \\rightarrow 3p)                      7.90          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3p)                      8.14          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3s)                      6.02          _              _            true\n",
 "/QUESTDB_website/data/abs/water_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Water\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow 3s)                      7.50          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3p)                      9.28          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3s)                      9.90          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3s)                      7.11          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3p)                      9.11          _              _            false\n  1       1     A_1        1       3     A_1          (n \\rightarrow 3s)                      9.45          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.98          _              _            false\n",
 "/QUESTDB_website/data/abs/maleimide_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Maleimide\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.86          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.59          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.85          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.53          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.40          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.26          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_CASPT2_6-31+G(d)_double.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : CASPT2,6-31+G(d)\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi\\rightarrow \\pi^\\star,\\pi^\\star) 5.62          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_PC-NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.46          _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_CCSD_aug-cc-pVTZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.36          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.03          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_TBE_aug-cc-pVTZ.dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.03          87.5           0.000        false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.80          97.2           _            false\n",
 "/QUESTDB_website/data/abs/ethylene_TBE_aug-cc-pVTZ.dat": "# Molecule : Ethylene\n# Comment  : \n# code     : MRCC\n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.40          95.1           0.078        false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.91          95.8           0.346        false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         8.07          95.3           _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.54          99.1           _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{R};\\pi \\rightarrow 3s)         7.23          98.5           _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{R};\\pi \\rightarrow 3p)         7.98          98.4           _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_sulfide_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Hydrogen sulfide\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow 4p)                      6.15          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow 4s)                      6.28          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 4p)                      5.79          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 4s)                      5.92          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_CC3_6-31+G(d).dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   _                                       5.57          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     _                                       5.83          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   _                                       4.07          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     _                                       4.93          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_CCSDT_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.46          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               3.41          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               3.44          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             4.62          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 3s)                      5.31          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             5.47          _              _            false\n  1       1     A_1        3       1     B_2          (n \\rightarrow 3p)                      5.90          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               3.32          _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         6.56          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         7.06          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.52          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoformaldehyde_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Cyanoformaldehyde\n# Comment  : \n# code     : MOLPRO\n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.98          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             6.44          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               3.58          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.35          _              _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.24          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.80          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.57          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.86          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.45          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.62          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.62          _              _            false\n",
 "/QUESTDB_website/data/abs/water_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Water\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.65          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          9.42          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.98          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.28          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; n \\rightarrow 3p)          9.25          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.54          _              _            false\n",
 "/QUESTDB_website/data/abs/water_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Water\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow 3s)                      7.66          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3p)                      9.43          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3s)                      10.00         _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3s)                      7.29          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3p)                      9.27          _              _            false\n  1       1     A_1        1       3     A_1          (n \\rightarrow 3s)                      9.56          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_SC-NEVPT2_aug-cc-pVTZ_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.40          _              _            false\n",
 "/QUESTDB_website/data/abs/water_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Water\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.18          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          8.84          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.52          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; n \\rightarrow 3s)          6.86          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; n \\rightarrow 3p)          8.72          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R}; n \\rightarrow 3s)          9.15          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.07          _              0.024        false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.41          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.98          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_CC3_6-31+G(d).dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               2.58          _              _            false\n  1       1     A_1        1       1     B_2          (n \\rightarrow 4s)                      5.65          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.09          _              _            false\n  1       1     A_1        2       1     B_2          (n \\rightarrow 4p)                      6.59          _              _            false\n  1       1     A_1        3       1     A_1          (n \\rightarrow 4p)                      6.95          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               2.36          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             3.45          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_FCI_aug-cc-pVQZ_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.06          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     2.40          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_CASPT2_aug-cc-pVDZ_double.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : CASPT2,aug-cc-pVDZ\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi\\rightarrow \\pi^\\star,\\pi^\\star) 5.61          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : MRCC\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.08          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.44          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenone_FCI_6-31+G(d).dat": "# Molecule : Cyclopropenone\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow \\pi^\\star)               4.38          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow \\pi^\\star)               5.64          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow \\pi^\\star)               4.00          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.95          _              _            false\n",
 "/QUESTDB_website/data/abs/glyoxal_PC-NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Glyoxal\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.52          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_SC-NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   4.38          _              _            false\n",
 "/QUESTDB_website/data/abs/isobutene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Isobutene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3s)         6.73          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};\\pi \\rightarrow 3p)         7.19          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.64          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_FCI_aug-cc-pVDZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               5.25          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               4.63          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             5.56          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3s)                    5.78          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3p)                    6.41          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    6.46          _              _            false\n  1       1     A_1        2       1     B_2          (\\pi \\rightarrow 3p)                    6.56          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow \\pi^\\star)             6.52          _              _            false\n",
 "/QUESTDB_website/data/abs/difluorodiazirine_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Difluorodiazirine\n# Comment  : \n# code     : \n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.56          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.91          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.59          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_PC-NEVPT2_aug-cc-pVDZ_double.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,aug-cc-pVDZ\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        2       1     A_g          (\\pi,\\pi\\rightarrow \\pi^\\star,\\pi^\\star) 5.66          _              _            false\n",
 "/QUESTDB_website/data/abs/formamide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Formamide\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.61          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.39          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.98          _              _            false\n",
 "/QUESTDB_website/data/abs/hsif_CC3(Full)_aug-cc-pCVQZ.dat": "# Molecule : \\ce{HSiF}\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pCVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.06          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.49          95.4           _            false\n",
 "/QUESTDB_website/data/abs/thioformaldehyde_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.34          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.82          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.71          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.94          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.48          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 4s)           5.64          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_CC3_6-31+G(d).dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             4.38          _              _            false\n  1       1     A_1        1       1     B_1          (\\pi \\rightarrow 3s)                    5.65          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow 3p)                    5.97          _              _            false\n  1       1     A_1        2       1     A_1          (\\pi \\rightarrow  \\pi^\\star)            6.17          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             3.50          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             4.74          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_CC3_aug-cc-pVDZ.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             7.14          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             5.48          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CCSD_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.98          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s/3p)        6.43          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.11          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.43          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.42          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.58          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.04          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.31          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.68          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.59          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.21          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.97          _              _            false\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   1.85          _              _            false\n  1       1     A_g        1       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.35          _              _            false\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.27          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.80          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.76          _              _            false\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.16          _              _            false\n  1       1     A_g        2       3     A_u          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.16          _              _            false\n  1       1     A_g        2       3     B_{1u}       (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.67          _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.27          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.05          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_CC3_aug-cc-pV5Z.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   _                                       6.38          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     _                                       6.64          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   _                                       4.91          _              _            false\n",
 "/QUESTDB_website/data/abs/tetrazine_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Tetrazine\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (n \\rightarrow \\pi^\\star)               2.50          _              _            false\n  1       1     A_g        1       1     A_u          (n \\rightarrow \\pi^\\star)               3.70          _              _            false\n  1       1     A_g        2       1     A_g          (n,n \\rightarrow \\pi^\\star, \\pi^\\star)  5.86          _              _            true\n  1       1     A_g        1       1     B_{1g}       (n \\rightarrow \\pi^\\star)               4.98          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             5.25          _              _            false\n  1       1     A_g        1       1     B_{2g}       (n \\rightarrow \\pi^\\star)               5.50          _              _            false\n  1       1     A_g        2       1     A_u          (n \\rightarrow \\pi^\\star)               5.59          _              _            false\n  1       1     A_g        2       1     B_{2g}       (n \\rightarrow \\pi^\\star)               6.16          _              _            false\n  1       1     A_g        2       1     B_{1g}       (n \\rightarrow \\pi^\\star)               6.98          _              _            false\n  1       1     A_g        1       3     B_{3u}       (n \\rightarrow \\pi^\\star)               1.86          _              _            false\n  1       1     A_g        1       3     A_u          (n \\rightarrow \\pi^\\star)               3.44          _              _            false\n  1       1     A_g        1       3     B_{1g}       (n \\rightarrow \\pi^\\star)               4.23          _              _            false\n  1       1     A_g        1       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             4.49          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\pi \\rightarrow \\pi^\\star)             4.58          _              _            false\n  1       1     A_g        1       3     B_{2g}       (n \\rightarrow \\pi^\\star)               5.08          _              _            false\n  1       1     A_g        2       3     A_u          (n \\rightarrow \\pi^\\star)               5.15          _              _            false\n  1       1     A_g        2       3     B_{1u}       (\\pi \\rightarrow \\pi^\\star)             5.46          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CCSDT_6-31+G(d).dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.00          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s/3p)        6.48          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.13          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.55          _              _            false\n",
 "/QUESTDB_website/data/abs/hcf_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCF}\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.58          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_TBE(Full)_CBS.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.86          91.0           _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           6.06          93.9           0.035        false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.19          94.4           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.77          91.0           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.60          98.6           _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.85          98.1           _            false\n  1       1     A_1        2       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.14          94.4           _            false\n",
 "/QUESTDB_website/data/abs/thioacrolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Thioacrolein\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.10          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.92          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.91          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.12          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.30          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.39          _              _            false\n",
 "/QUESTDB_website/data/abs/cf2_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 4.90          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.51          _              _            false\n",
 "/QUESTDB_website/data/abs/acetaldehyde_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Acetaldehyde\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.24          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.83          _              _            false\n",
 "/QUESTDB_website/data/abs/hps_CC2_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPS}\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.68          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.35          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.62          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   _                                       5.43          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     _                                       5.69          _              _            false\n",
 "/QUESTDB_website/data/abs/hexatriene_CC3_aug-cc-pVTZ.dat": "# Molecule : Hexatriene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CCSD(T),aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.34          92.2           1.115        false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.75          65.3           _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.78          93.6           0.009        false\n  1       1     A_g        1       1     B_g          (\\mathrm{R};\\pi \\rightarrow 3p)         5.86          93.5           _            false\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.73          97.9           _            false\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.36          98.3           _            false\n",
 "/QUESTDB_website/data/abs/aza-naphthalene_TBE_aug-cc-pVTZ.dat": "# Molecule : Aza-naphthalene\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.14          88.5           _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.28          86.5           0.190        false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.34          88.5           _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.55          87.3           _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.89          84.1           _            false\n  1       1     A_g        2       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.24          82.6           _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.34          83.1           _            false\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.68          88.5           0.028        true\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.80          85.3           _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.92          84.8           _            false\n  1       1     A_g        3       1     A_g          (\\mathrm{R};n \\rightarrow 3s)           6.50          90.5           _            false\n  1       1     A_g        1       3     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.82          96.5           _            true\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.67          97.2           _            true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.75          97.7           _            true\n  1       1     A_g        1       3     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.77          97.1           _            true\n  1       1     A_g        1       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.34          48.0           _            true\n  1       1     A_g        2       3     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.61          95.3           _            true\n  1       1     A_g        2       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.75          96.6           _            true\n  1       1     A_g        1       3     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.87          96.6           _            true\n",
 "/QUESTDB_website/data/abs/cyanogen_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   _                                       6.40          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     _                                       6.67          _              _            false\n  1       1     \\Sigma_g^+ 1       3     \\Sigma_u^+   _                                       4.89          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.03          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s/3p)        5.89          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.18          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.89          _              _            false\n",
 "/QUESTDB_website/data/abs/water_CCSDTQ_6-31+G(d).dat": "# Molecule : Water\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; n \\rightarrow 3s)          8.33          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; n \\rightarrow 3p)          10.74         _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R}; n \\rightarrow 3s)          10.84         _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; n \\rightarrow 3s)          7.71          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; n \\rightarrow 3p)          10.34         _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{R}; n \\rightarrow 3s)          10.17         _              _            false\n",
 "/QUESTDB_website/data/abs/ccl2_CC3_6-31+G(d).dat": "# Molecule : \\ce{CCl2}\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.71          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V})                            4.46          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 1.10          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V})                            4.41          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Pyridine\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.36          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.57          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.77          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.87          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R};n \\rightarrow 3s)           7.13          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         7.08          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         7.64          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.53          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.76          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.08          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.37          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.71          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.43          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.04          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.32          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.49          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.34          _              _            false\n",
 "/QUESTDB_website/data/abs/methylenecyclopropene_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Methylenecyclopropene\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.72          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.43          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.94          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.14          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.94          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.86          _              _            false\n",
 "/QUESTDB_website/data/abs/acetylene_FCI_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             7.10          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             7.44          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\pi \\rightarrow \\pi^\\star)             5.53          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\pi \\rightarrow \\pi^\\star)             6.40          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\pi \\rightarrow \\pi^\\star)             7.08          _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.29          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.01          _              _            false\n",
 "/QUESTDB_website/data/abs/ketene_CC3_aug-cc-pVDZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.89          _              _            false\n  1       1     A_1        1       1     B_1          (n \\rightarrow 3s)                      5.83          _              _            false\n  1       1     A_1        2       1     A_2          (\\pi \\rightarrow 3p)                    7.05          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow \\pi^\\star)               3.79          _              _            false\n  1       1     A_1        1       3     A_1          (\\pi \\rightarrow \\pi^\\star)             5.62          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3s)                      5.63          _              _            false\n  1       1     A_1        2       3     A_2          (\\pi \\rightarrow 3p)                    7.01          _              _            false\n",
 "/QUESTDB_website/data/abs/octatetraene_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Octatetraene\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.87          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.16          _              _            true\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.52          _              _            true\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.77          _              _            true\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CC3_d-aug-cc-pVQZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : Dalton\n# method   : CC3,d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.88          _              _            false\n",
 "/QUESTDB_website/data/abs/nitroxyl_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Nitroxyl\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.80          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R})                            5.81          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    0.91          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.72          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CC3(Full)_aug-cc-pV5Z.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.87          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_monoxide_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Carbon monoxide\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    8.64          _              _            false\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.30         _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.60         _              _            false\n  1       1     \\Sigma^+   2       1     \\Sigma^+     (\\mathrm{R})                            11.11         _              _            false\n  1       1     \\Sigma^+   3       1     \\Sigma^+     (\\mathrm{R})                            11.63         _              _            false\n  1       1     \\Sigma^+   2       1     \\Pi          (\\mathrm{R})                            11.83         _              _            false\n  1       1     \\Sigma^+   1       3     \\Pi          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.42          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  8.72          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.56          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  10.27         _              _            false\n  1       1     \\Sigma^+   2       3     \\Sigma^+     (\\mathrm{R})                            10.60         _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropene_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Cyclopropene\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\sigma \\rightarrow \\pi^\\star)          6.68          _              _            false\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             6.73          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             4.34          _              _            false\n  1       1     A_1        1       3     B_1          (\\sigma \\rightarrow \\pi^\\star)          6.40          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_CIS(D\u221e)_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : MRCC\n# method   : CIS(D\u221e),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.00          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.55          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridazine_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.79          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.27          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.44          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.81          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.69          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.35          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.85          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.19          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.02          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.06          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_CC3(SC)_aug-cc-pVQZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : CC3(SC),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.15          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.78          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CCSDT_aug-cc-pVDZ_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.78         _              _            false\n",
 "/QUESTDB_website/data/abs/cyanogen_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Sigma_u^-   _                                       6.51          _              _            false\n  1       1     \\Sigma_g^+ 1       1     \\Delta_u     _                                       6.77          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_CC3_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.97          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.18          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           8.07          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.18          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           8.64          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 9.19          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.48          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.57          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.05          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           7.03          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.92          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           8.08          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3d)           8.41          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_TBE_aug-cc-pVTZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime}(\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.55          93.9           _            false\n",
 "/QUESTDB_website/data/abs/furan_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Furan\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         6.33          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.67          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.02          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.86          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.05          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.48          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.39          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.59          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         6.26          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         6.81          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.14          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.80          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadiene_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Cyclopentadiene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.54          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.77          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.40          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.45          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.56          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.32          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.12          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.73          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.36          _              _            false\n",
 "/QUESTDB_website/data/abs/methanimine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Methanimine\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.28          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.72          _              _            false\n",
 "/QUESTDB_website/data/abs/thiopropynal_CC3_6-31+G(d).dat": "# Molecule : Thiopropynal\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               2.09          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.84          _              _            false\n",
 "/QUESTDB_website/data/abs/cf2_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 4.90          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.47          _              _            false\n",
 "/QUESTDB_website/data/abs/cf2_TBE(Full)_CBS.dat": "# Molecule : \\ce{CF2}\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 5.07          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 2.78          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_PC-NEVPT2_6-31+G(d)_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : PC-NEVPT2,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.26          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.97          _              _            false\n",
 "/QUESTDB_website/data/abs/water_exp.dat": "# Molecule : Water\n# Comment  : \n# code     : \n# method   : experimental,CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (n \\rightarrow 3s)                      7.41          _              _            false\n  1       1     A_1        1       1     A_2          (n \\rightarrow 3p)                      9.20          _              _            false\n  1       1     A_1        2       1     A_1          (n \\rightarrow 3s)                      9.67          _              _            false\n  1       1     A_1        1       3     B_1          (n \\rightarrow 3s)                      7.20          _              _            false\n  1       1     A_1        1       3     A_2          (n \\rightarrow 3p)                      8.90          _              _            false\n  1       1     A_1        1       3     A_1          (n \\rightarrow 3s)                      9.46          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_SC-NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.29         _              _            false\n",
 "/QUESTDB_website/data/abs/pyridazine_TBE(Full)_CBS.dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.83          89.0           0.005        false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.38          86.9           _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.26          85.8           0.016        false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.72          86.2           _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.21          88.5           0.001        false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.37          87.0           0.004        false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.74          90.6           0.010        false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.20          97.1           _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.12          96.2           _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.35          98.5           _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.81          97.3           _            false\n",
 "/QUESTDB_website/data/abs/hco_U-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{HCO}\n# Comment  : \n# code     : \n# method   : U-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A^\\prime   1       2     A^{\\prime\\prime} _                                       2.10          _              _            false\n  1       2     A^\\prime   2       2     A^\\prime     _                                       5.44          _              _            false\n",
 "/QUESTDB_website/data/abs/dinitrogen_CC3_d-aug-cc-pVQZ.dat": "# Molecule : Dinitrogen\n# Comment  : \n# code     : Dalton\n# method   : CC3,d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Pi_g        (\\mathrm{V}; n \\rightarrow \\pi^\\star)   9.33          _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.87          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 10.27         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_g^+   (\\mathrm{R}; n \\rightarrow \\sigma^\\star) 12.27         _              _            false\n  1       1     \\Sigma_g   1       1     \\Pi_u        (\\mathrm{R})                            12.89         _              _            false\n  1       1     \\Sigma_g   1       1     \\Sigma_u^+   (\\mathrm{R}; n \\rightarrow \\sigma^\\star) 12.94         _              _            false\n  1       1     \\Sigma_g   2       1     \\Pi_u        (\\mathrm{R})                            13.34         _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.71          _              _            false\n  1       1     \\Sigma_g   1       3     \\Pi_g        (\\mathrm{V}; n \\rightarrow \\pi^\\star)   8.04          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 8.87          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 9.68          _              _            false\n",
 "/QUESTDB_website/data/abs/hydrogen_chloride_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Hydrogen chloride\n# Comment  : \n# code     : MRCC\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Pi          (\\mathrm{CT})                           7.85          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrimidine_CCSD_aug-cc-pVTZ.dat": "# Molecule : Pyrimidine\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.66          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.07          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.53          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.20          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.54          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.88          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.97          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.25          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.39          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.83          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.99          _              _            false\n",
 "/QUESTDB_website/data/abs/butadiene_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Butadiene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\pi \\rightarrow \\pi^\\star)             6.24          _              _            false\n  1       1     A_g        1       1     B_g          (\\pi \\rightarrow 3s)                    6.34          _              _            false\n  1       1     A_g        2       1     A_g          (\\pi \\rightarrow \\pi^\\star)             6.60          _              _            false\n  1       1     A_g        1       1     A_u          (\\pi \\rightarrow 3p)                    6.66          _              _            false\n  1       1     A_g        2       1     A_u          (\\pi \\rightarrow 3p)                    6.81          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopropenethione_CC3_aug-cc-pVTZ.dat": "# Molecule : Cyclopropenethione\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.43          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.43          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.64          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          5.34          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.49          _              _            false\n  1       1     A_1        3       1     B_2          (\\mathrm{R}; n \\rightarrow 3p)          5.93          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.30          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.31          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.02          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.03          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_CC2_aug-cc-pVTZ.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.85          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.80          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.68          _              _            false\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          6.40          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.49          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.06          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.37          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.55          _              _            false\n",
 "/QUESTDB_website/data/abs/hcp_CC3_aug-cc-pV5Z.dat": "# Molecule : \\ce{HCP}\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.82          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.10          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.47          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.20          _              _            false\n",
 "/QUESTDB_website/data/abs/triazine_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Triazine\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.64          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.75          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.72          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.89          _              _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.32          _              _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          6.87          _              _            false\n  1       1     A_1^\\prime 2       1     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   7.71          _              _            false\n  1       1     A_1^\\prime 2       1     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.63          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.32          _              _            false\n  1       1     A_1^\\prime 1       3     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.46          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.65          _              _            false\n  1       1     A_1^\\prime 1       3     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.12          _              _            false\n  1       1     A_1^\\prime 1       3     E^\\prime     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.88          _              _            false\n  1       1     A_1^\\prime 1       3     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.76          _              _            false\n",
 "/QUESTDB_website/data/abs/naphthalene_CCSD_aug-cc-pVTZ.dat": "# Molecule : Naphthalene\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.45          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.05          _              _            false\n  1       1     A_g        1       1     A_u          (\\mathrm{R};\\pi \\rightarrow 3s)         5.70          _              _            false\n  1       1     A_g        1       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.11          _              _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.17          _              _            true\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{R};\\pi \\rightarrow 3p)         6.14          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{R};\\pi \\rightarrow 3p)         6.10          _              _            false\n  1       1     A_g        2       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.36          _              _            true\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{R};\\pi \\rightarrow 3s)         6.38          _              _            false\n  1       1     A_g        2       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.60          _              _            false\n  1       1     A_g        2       1     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.78          _              _            false\n  1       1     A_g        3       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.41          _              _            false\n  1       1     A_g        1       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.07          _              _            true\n  1       1     A_g        1       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.24          _              _            true\n  1       1     A_g        1       3     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.44          _              _            true\n  1       1     A_g        2       3     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.67          _              _            true\n  1       1     A_g        2       3     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.94          _              _            true\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.53          _              _            true\n  1       1     A_g        2       3     B_{1g}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.40          _              _            true\n  1       1     A_g        2       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.56          _              _            true\n",
 "/QUESTDB_website/data/abs/formaldehyde_CCSDTQ_6-31+G(d)_double.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        3       1     A_1          (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   10.87         _              _            false\n",
 "/QUESTDB_website/data/abs/aza-naphthalene_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Aza-naphthalene\n# Comment  : \n# code     : \n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3/cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_{3g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.24          _              _            false\n  1       1     A_g        1       1     B_{2u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.38          _              _            false\n  1       1     A_g        1       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.44          _              _            false\n  1       1     A_g        1       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.65          _              _            false\n  1       1     A_g        2       1     B_{2g}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.06          _              _            false\n  1       1     A_g        2       1     B_{1u}       (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.40          _              _            true\n  1       1     A_g        1       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.52          _              _            false\n  1       1     A_g        1       1     B_{3u}       (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.76          _              _            true\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.94          _              _            false\n  1       1     A_g        2       1     A_u          (\\mathrm{V};n \\rightarrow \\pi^\\star)    6.06          _              _            false\n  1       1     A_g        3       1     A_g          (\\mathrm{R};n \\rightarrow 3s)           6.57          _              _            false\n",
 "/QUESTDB_website/data/abs/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.90          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.88          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.83          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.83          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};n \\rightarrow 3p)           8.30          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{V})                            9.11          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  9.45          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.55          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.00          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{R};n \\rightarrow 3s)           6.80          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{R};n \\rightarrow 3p)           7.73          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{R};n \\rightarrow 3p)           7.78          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R})                            8.49          _              _            false\n",
 "/QUESTDB_website/data/abs/nitrosomethane_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.98          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (n,n \\rightarrow \\pi^\\star,\\pi^\\star)   5.26          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (n \\rightarrow 3s/3p)                   6.19          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.12          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\pi \\rightarrow \\pi^\\star)             5.54          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.56          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R};n \\rightarrow 3s)           5.80          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.87          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R};n \\rightarrow 3p)           6.66          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R};n \\rightarrow 3p)           6.79          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.37          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.50          _              _            false\n",
 "/QUESTDB_website/data/abs/carbonylfluoride_CC3_aug-cc-pVDZ.dat": "# Molecule : Carbonylfluoride\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.34          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.05          _              _            false\n",
 "/QUESTDB_website/data/abs/furan_CCSD_aug-cc-pVTZ.dat": "# Molecule : Furan\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.17          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.51          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.85          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.71          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.89          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        7.32          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.15          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.47          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        6.11          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.66          _              _            false\n",
 "/QUESTDB_website/data/abs/cyclopentadienethione_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Cyclopentadienethione\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.68          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.03          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.02          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.38          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.07          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.54          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c3_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C3\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.76          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.62          _              _            false\n",
 "/QUESTDB_website/data/abs/pyrrole_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Pyrrole\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.30          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.94          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.03          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.35          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.47          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; \\pi \\rightarrow 3p)        6.91          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.71          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{R}; \\pi \\rightarrow 3s)        5.27          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.62          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R}; \\pi \\rightarrow 3p)        5.89          _              _            false\n",
 "/QUESTDB_website/data/abs/triazine_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Triazine\n# Comment  : \n# code     : \n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1^\\prime 1       1     A_1^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.80          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.82          _              _            false\n  1       1     A_1^\\prime 1       1     E^{\\prime\\prime} (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.86          _              _            false\n  1       1     A_1^\\prime 1       1     A_2^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.82          _              _            false\n  1       1     A_1^\\prime 2       1     A_1^\\prime   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 7.27          _              _            false\n  1       1     A_1^\\prime 1       1     E^\\prime     (\\mathrm{R}; n \\rightarrow 3s)          7.41          _              _            false\n",
 "/QUESTDB_website/data/abs/cyanoacetylene_FCI_aug-cc-pVDZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     \\Sigma^-     _                                       5.84          _              _            false\n  1       1     \\Sigma^+   1       1     \\Delta       _                                       6.14          _              _            false\n  1       1     \\Sigma^+   1       3     \\Sigma^+     _                                       4.41          _              _            false\n  1       1     \\Sigma^+   1       3     \\Delta       _                                       5.20          _              _            false\n",
 "/QUESTDB_website/data/abs/beryllium_FCI_6-31+G(d)_double.dat": "# Molecule : Beryllium\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : \n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     S          1       1     D            (2s,2s \\rightarrow 2p,2p)               8.04          _              _            false\n",
 "/QUESTDB_website/data/abs/diacetylene_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Diacetylene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.95          _              _            false\n  1       1     \\Sigma_g   1       1     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.22          _              _            false\n  1       1     \\Sigma_g   1       3     \\Sigma_u^+   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.79          _              _            false\n  1       1     \\Sigma_g   1       3     \\Delta_u     (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.43          _              _            false\n",
 "/QUESTDB_website/data/abs/silylidene_CCSD_aug-cc-pVTZ.dat": "# Molecule : Silylidene\n# Comment  : \n# code     : \n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{R})                            2.29          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R})                            3.88          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridazine_CCSD_aug-cc-pVTZ.dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.03          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.65          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.43          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.01          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.42          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.67          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.88          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.30          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.31          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.17          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.86          _              _            false\n",
 "/QUESTDB_website/data/abs/cclf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : \\ce{CClF}\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\sigma \\rightarrow \\pi^\\star) 3.39          _              _            false\n",
 "/QUESTDB_website/data/abs/octatetraene_TBE_aug-cc-pVTZ.dat": "# Molecule : Octatetraene\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,cc-pVTZ\n# set      : QUEST#5,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_g        1       1     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.78          91.5           _            false\n  1       1     A_g        2       1     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.90          63.7           _            true\n  1       1     A_g        1       3     B_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.36          97.5           _            true\n  1       1     A_g        1       3     A_g          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.73          98.0           _            true\n",
 "/QUESTDB_website/data/abs/hpo_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.54          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Pyridine\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.09          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.87          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.40          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.36          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R};n \\rightarrow 3s)           6.85          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3s)         6.80          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{R};\\pi \\rightarrow 3p)         7.36          _              _            false\n  1       1     A_1        4       1     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.39          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.31          _              _            true\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.38          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.63          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.76          _              _            false\n  1       1     A_1        2       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.01          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    5.42          _              _            false\n  1       1     A_1        2       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.28          _              _            false\n",
 "/QUESTDB_website/data/abs/pyridazine_CC3_aug-cc-pVTZ.dat": "# Molecule : Pyridazine\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.83          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.37          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.29          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   5.74          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 3s)          6.17          _              _            false\n  1       1     A_1        2       1     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   6.37          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 6.74          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   3.19          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   4.11          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.38          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.83          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_dimer_TBE_CBS_double.dat": "# Molecule : Carbon dimer\n# Comment  : \n# code     : \n# method   : TBE,CBS\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     double                                  2.06          0              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   double                                  2.40          0              _            false\n",
 "/QUESTDB_website/data/abs/ketene_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Ketene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.88          _              _            false\n  1       1     A_1        1       1     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.96          _              _            false\n  1       1     A_1        2       1     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.16          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.78          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.61          _              _            false\n  1       1     A_1        1       3     B_1          (\\mathrm{R};n \\rightarrow 3s)           5.76          _              _            false\n  1       1     A_1        2       3     A_2          (\\mathrm{R};\\pi \\rightarrow 3p)         7.12          _              _            false\n",
 "/QUESTDB_website/data/abs/thioacetone_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Thioacetone\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.49          _              _            false\n  1       1     A_1        1       1     B_2          (\\mathrm{R}; n \\rightarrow 4s)          5.56          _              _            false\n  1       1     A_1        2       1     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.70          _              _            false\n  1       1     A_1        2       1     B_2          (\\mathrm{R}; n \\rightarrow 4p)          6.48          _              _            false\n  1       1     A_1        3       1     A_1          (\\mathrm{R}; n \\rightarrow 4p)          6.56          _              _            false\n  1       1     A_1        1       3     A_2          (\\mathrm{V}; n \\rightarrow \\pi^\\star)   2.23          _              _            false\n  1       1     A_1        1       3     A_1          (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.34          _              _            false\n",
 "/QUESTDB_website/data/abs/ch3_RO-CC3_aug-cc-pVTZ.dat": "# Molecule : \\ce{CH3}\n# Comment  : \n# code     : \n# method   : RO-CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       2     A_2^{\\prime\\prime} 1       2     A_1^\\prime   _                                       5.85          _              _            false\n  1       2     A_2^{\\prime\\prime} 1       2     E^\\prime     _                                       6.97          _              _            false\n  1       2     A_2^{\\prime\\prime} 2       2     E^\\prime     _                                       7.19          _              _            false\n  1       2     A_2^{\\prime\\prime} 2       2     A_2^{\\prime\\prime} _                                       7.65          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_FCI_6-31+G(d)_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.27          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.93          _              _            false\n",
 "/QUESTDB_website/data/abs/carbon_trimer_SC-NEVPT2_aug-cc-pVQZ_double.dat": "# Molecule : Carbon trimer\n# Comment  : \n# code     : \n# method   : SC-NEVPT2,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#2,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 1       1     \\Delta_g     (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     5.22          _              _            false\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_g^+   (\\pi,\\pi \\rightarrow \\sigma,\\sigma)     6.00          _              _            false\n",
 "/QUESTDB_website/data/abs/hpo_CCSDTQ_6-31+G(d).dat": "# Molecule : \\ce{HPO}\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#4,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.48          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  7.20          _              _            false\n  1       1     A_1        1       3     B_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.73          _              _            false\n",
 "/QUESTDB_website/data/abs/streptocyanine-c1_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Streptocyanine-C1\n# Comment  : \n# code     : \n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A_1        1       1     B_2          (\\pi \\rightarrow \\pi^\\star)             7.12          _              _            false\n  1       1     A_1        1       3     B_2          (\\pi \\rightarrow \\pi^\\star)             5.48          _              _            false\n",
 "/QUESTDB_website/data/abs/acrolein_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Acrolein\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    4.03          _              _            false\n  1       1     A^\\prime   2       1     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.98          _              _            false\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.14          _              _            true\n  1       1     A^\\prime   3       1     A^\\prime     (\\mathrm{R};n \\rightarrow 3s)           6.77          _              _            false\n  1       1     A^\\prime   1       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.70          _              _            false\n  1       1     A^\\prime   1       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.09          _              _            false\n  1       1     A^\\prime   2       3     A^\\prime     (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  6.36          _              _            false\n  1       1     A^\\prime   2       3     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    7.02          _              _            true\n",
 "/QUESTDB_website/data/fluo/formaldehyde_FCI_aug-cc-pVDZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               2.86          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.98          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.49          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.86          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.51          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Ketene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.19          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_CC3(Full)_d-aug-cc-pV5Z.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\pi \\rightarrow \\pi^\\star)             3.63          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.84          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.74          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               2.84          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.66          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_CC3(Full)_d-aug-cc-pVQZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             0.67          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.23          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_CCSDT_6-31+G(d).dat": "# Molecule : Acetylene\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.85          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.07          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.73          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_CC3_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.69          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.97          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.63          _              _            false\n  1       1     \\Sigma_g   1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.84          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.90          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_CCSDT_6-31+G(d).dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.85          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_CC3(Full)_d-aug-cc-pVQZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (n \\rightarrow \\pi^\\star)               1.96          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_CCSD_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.58          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.40          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.94          _              _            false\n  1       1     \\Sigma_g   1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.11          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.66          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.64          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.84          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_CC3_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.06          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_CC3_6-31+G(d).dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.88          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_CC3_aug-cc-pVQZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   _                                       5.05          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.73          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} _                                       3.56          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\pi \\rightarrow \\pi^\\star)             3.72          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.94          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.77          _              _            false\n  1       1     \\Sigma_g   1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.97          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_FCI_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             1.00          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.72          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_CCSDTQ_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.96          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_CC3(Full)_aug-cc-pV5Z.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               2.84          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_CIS(D\u221e)_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : CIS(D\u221e),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.55          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.68          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.30          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.54          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.80          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.57          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_CC3_aug-cc-pVDZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             0.68          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_CIS(D\u221e)_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CIS(D\u221e),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.92          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_CCSD_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.81          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_CC3(Full)_aug-cc-pV5Z.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\pi \\rightarrow \\pi^\\star)             3.63          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.84          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.58          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 2.78          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_FCI_aug-cc-pVDZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             0.65          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.72          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.55          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.28          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.00          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.98          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.86          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.17          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_FCI_6-31+G(d).dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} _                                       3.67          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.14          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.57          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_CCSDTQ_6-31+G(d).dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   _                                       5.26          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   _                                       5.05          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_TBE_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.05          93.4           _            false\n",
 "/QUESTDB_website/data/fluo/ketene_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             1.00          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_CC3_6-31+G(d).dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.62          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.82          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.48          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.07          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.68          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.69          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_CC3_aug-cc-pVQZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             1.00          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.66          _              _            false\n  1       1     \\Sigma_g   1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.86          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_CC3_aug-cc-pVQZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (n \\rightarrow \\pi^\\star)               1.98          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Ketene\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.26          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_CC3_d-aug-cc-pVQZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CC3,d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   _                                       5.05          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_CCSDTQ_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.84          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_CC3_6-31+G(d).dat": "# Molecule : Ketene\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.90          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_FCI_aug-cc-pVDZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (n \\rightarrow \\pi^\\star)               1.98          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_CIS(D\u221e)_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : CIS(D\u221e),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.78          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.99          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_CC2_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.97          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.67          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_CC2_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.90          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_CIS(D\u221e)_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : CIS(D\u221e),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.80          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.73          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.24          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_NEVPT2_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : MOLPRO\n# method   : NEVPT2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} _                                       3.50          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.79          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.88          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\pi \\rightarrow \\pi^\\star)             3.70          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.93          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_CC3_aug-cc-pVQZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} _                                       3.54          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.85          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.98          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_CC3_aug-cc-pVQZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             0.68          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.81          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_CC3_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.00          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_CC3_aug-cc-pVDZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   _                                       5.19          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.83          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_CC3(Full)_d-aug-cc-pVQZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\pi \\rightarrow \\pi^\\star)             3.63          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.84          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.31          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_CC3(Full)_d-aug-cc-pVQZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             1.00          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_TBE_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.71          87.4           _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_FCI_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               2.80          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.39          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_FCI_aug-cc-pVDZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\pi \\rightarrow \\pi^\\star)             3.71          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.93          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\pi \\rightarrow \\pi^\\star)             3.63          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.84          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.86          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.48          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_TBE(Full)_CBS.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.70          87.4           _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.72          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   _                                       5.20          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.82          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_CC2_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.94          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.11          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.85          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.08          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_CC3_aug-cc-pVDZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               2.87          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_CC3_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.54          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.86          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.06          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_CCSD_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.70          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.92          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.77          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_CC3_6-31+G(d).dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.99          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.24          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.92          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.67          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.07          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.01          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_CCSDTQ_6-31+G(d).dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.96          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.85          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.06          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.22          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_CC3(Full)_aug-cc-pV5Z.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (n \\rightarrow \\pi^\\star)               1.95          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} _                                       3.54          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_CC3(Full)_d-aug-cc-pV5Z.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               2.84          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.67          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_CC3_d-aug-cc-pVQZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : Dalton\n# method   : CC3,d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\pi \\rightarrow \\pi^\\star)             3.63          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.84          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.48          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.93          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.65          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.85          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_CCSDT_6-31+G(d).dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.96          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_CCSDT_6-31+G(d).dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.60          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : ORCA\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.52          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.31          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.54          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_CCSDT_6-31+G(d).dat": "# Molecule : Ketene\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.90          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_CC3_6-31+G(d).dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.72          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_CCSDTQ_6-31+G(d).dat": "# Molecule : Acetylene\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.84          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.06          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.71          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.63          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (n \\rightarrow \\pi^\\star)               1.96          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.86          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.74          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_CCSDTQ_6-31+G(d).dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} _                                       3.70          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_TBE_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.54          93.6           0.004        false\n",
 "/QUESTDB_website/data/fluo/acetylene_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.78          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.99          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_CC3_d-aug-cc-pVQZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3,d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (n \\rightarrow \\pi^\\star)               1.97          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_CC3_6-31+G(d).dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} _                                       3.70          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_CCSD_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.05          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Ketene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.93          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_CC3_aug-cc-pVQZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.67          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_CC3_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.68          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_FCI_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (n \\rightarrow \\pi^\\star)               1.95          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_TBE(Full)_CBS.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.54          93.6           0.004        false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_CC3_d-aug-cc-pVQZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3,d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               2.85          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_TBE(Full)_CBS.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : \n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.03          93.4           _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.81          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.71          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_CC2_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.79          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.00          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_TBE(Full)_CBS.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.94          87.2           _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_CC3_aug-cc-pVDZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} _                                       3.60          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.93          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             0.99          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} _                                       3.60          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.03          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_CC3_aug-cc-pVDZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\pi \\rightarrow \\pi^\\star)             3.70          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.92          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_FCI_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             0.71          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.06          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.06          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.80          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : Gaussian\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.61          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_CC3_aug-cc-pVQZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               2.85          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (n \\rightarrow \\pi^\\star)               1.98          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_CC3_aug-cc-pVQZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\pi \\rightarrow \\pi^\\star)             3.63          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.83          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_CIS(D\u221e)_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : \n# method   : CIS(D\u221e),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.20          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.54          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_TBE_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.64          95.6           _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.85          95.5           _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma^+   1       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.25          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.67          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_CCSDT_6-31+G(d).dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   _                                       5.28          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_ADC(3)_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.77          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.58          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.84          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_FCI_6-31+G(d).dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : \n# method   : FCI,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   _                                       5.31          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.86          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Ketene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.67          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  2.85          _              _            false\n  1       1     \\Sigma_g   1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.08          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_TBE(Full)_CBS.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.66          92.7           _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_CC3_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.64          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.84          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.04          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_CCSDTQ_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.64          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.85          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 4.32          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_CCSD_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : Dalton\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.13          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.64          _              _            false\n  1       1     \\Sigma_g   1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.84          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_CC3_6-31+G(d).dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   _                                       5.27          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_ADC(2.5)_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.53          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_SCS-CC2_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : \n# method   : SCS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.93          _              _            false\n  1       1     \\Sigma_g   1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.10          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_STEOM-CCSD_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : STEOM-CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.88          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (n \\rightarrow \\pi^\\star)               2.00          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_CC3_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.97          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_CIS(D\u221e)_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CIS(D\u221e),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.71          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    3.12          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_CCSD_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.93          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 3.54          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_CC3_6-31+G(d).dat": "# Molecule : Acetylene\n# Comment  : \n# code     : \n# method   : CC3,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.83          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.05          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_TBE_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.95          87.2           _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.93          _              _            false\n  1       1     \\Sigma_g   1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  4.09          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.66          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.86          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.70          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.85          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : Dalton\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.14          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : Q-Chem\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.39          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_CC2_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.26          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.78          _              _            false\n  1       1     \\Sigma_g   1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.99          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.97          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             0.67          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_CC3(Full)_d-aug-cc-pVQZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CC3(Full),d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   _                                       5.05          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.66          _              _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.85          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_TBE(Full)_CBS.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.63          95.6           _            false\n  1       1     A_1        1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.85          95.5           _            false\n",
 "/QUESTDB_website/data/fluo/ketene_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.19          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.01          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.06          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_CC3(Full)_aug-cc-pVQZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               2.84          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               2.86          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_CC2_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.09          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_TBE_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.00          87.9           _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_CCSDR(3)_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CCSDR(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.97          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} _                                       3.62          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.74          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_TBE(Full)_CBS.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.80          87.8           _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.55          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_CCSDT-3_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : CCSDT-3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.03          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_CC3_aug-cc-pVDZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.70          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_CC3_aug-cc-pVDZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (n \\rightarrow \\pi^\\star)               2.00          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_CCSDTQ_6-31+G(d).dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : CCSDTQ,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.86          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_FCI_aug-cc-pVDZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.70          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g   1       1     A_u          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.31          _              _            false\n  1       1     \\Sigma_g   1       1     A_2          (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  3.54          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_CCSD_aug-cc-pVTZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.13          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_CCSDT_6-31+G(d).dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} _                                       3.72          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_SOS-CC2_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : \n# method   : SOS-CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.63          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.40          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             0.67          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_CC3(Full)_d-aug-cc-pVQZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3(Full),d-aug-cc-pVQZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               2.84          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_FCI_aug-cc-pVDZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   _                                       5.26          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  5.37          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_ADC(2.5)_aug-cc-pVTZ_addon.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2.5),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.53          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [TM],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.88          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_CC2_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.68          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : MRCC\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.81          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_FCI_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.7           _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_ADC(3)_aug-cc-pVTZ_addon.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(3),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.77          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.71          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : MRCC\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.90          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_CC2_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : Dalton\n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   (\\mathrm{V}; \\pi \\rightarrow \\pi^\\star) 5.48          _              _            false\n",
 "/QUESTDB_website/data/fluo/diazomethane_EOM-MP2_aug-cc-pVTZ.dat": "# Molecule : Diazomethane\n# Comment  : \n# code     : \n# method   : EOM-MP2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  0.85          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_TBE_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.67          92.7           _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_ADC(2)_aug-cc-pVTZ_addon.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : Q-CHEM\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.92          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_FCI_aug-cc-pVDZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             0.96          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_TBE_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : TBE,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.80          87.8           _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_ADC(2)_aug-cc-pVTZ.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : MRCC\n# method   : ADC(2),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.92          _              _            false\n",
 "/QUESTDB_website/data/fluo/thioformaldehyde_CC2_aug-cc-pVTZ_addon.dat": "# Molecule : Thioformaldehyde\n# Comment  : \n# code     : \n# method   : CC2,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        2       1     A_2          (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.09          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_CCSD_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : CCSD,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.68          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_CC3_aug-cc-pV5Z.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CC3,aug-cc-pV5Z\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   _                                       5.05          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_CCSDT_6-31+G(d).dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : \n# method   : CCSDT,6-31+G(d)\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.70          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_TBE(Full)_CBS.dat": "# Molecule : Ketene\n# Comment  : \n# code     : MRCC\n# method   : TBE(Full),CBS\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.00          87.9           _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_CCSDT_aug-cc-pVTZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CCSDT,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   _                                       5.07          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_CIS(D)_aug-cc-pVTZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : CIS(D),aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    1.73          _              _            false\n",
 "/QUESTDB_website/data/fluo/acetylene_FCI_aug-cc-pVTZ.dat": "# Molecule : Acetylene\n# Comment  : \n# code     : MRCC\n# method   : FCI,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_g        1       1     A_u          (\\pi \\rightarrow \\pi^\\star)             3.64          _              _            false\n  1       1     A_1        1       1     A_2          (\\pi \\rightarrow \\pi^\\star)             3.85          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_CC3_aug-cc-pVDZ.dat": "# Molecule : Ketene\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\pi \\rightarrow \\pi^\\star)             1.00          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanogen_CCSDTQ_aug-cc-pVDZ.dat": "# Molecule : Cyanogen\n# Comment  : \n# code     : CFOUR\n# method   : CCSDTQ,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     \\Sigma_g^+ 2       1     \\Sigma_u^-   _                                       5.18          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_CC3_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : Dalton\n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.84          _              _            false\n",
 "/QUESTDB_website/data/fluo/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat": "# Molecule : Formaldehyde\n# Comment  : \n# code     : \n# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,2\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A_1        1       1     A^{\\prime\\prime} (\\mathrm{V};n \\rightarrow \\pi^\\star)    2.66          _              _            false\n",
 "/QUESTDB_website/data/fluo/nitrosomethane_CCSDT_aug-cc-pVDZ.dat": "# Molecule : Nitrosomethane\n# Comment  : \n# code     : MRCC\n# method   : CCSDT,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#1,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   2       1     A^{\\prime\\prime} (n \\rightarrow \\pi^\\star)               1.69          _              _            false\n",
 "/QUESTDB_website/data/fluo/cyanoacetylene_FCI_aug-cc-pVDZ.dat": "# Molecule : Cyanoacetylene\n# Comment  : \n# code     : \n# method   : FCI,aug-cc-pVDZ\n# geom     : CC3,aug-cc-pVTZ \n# set      : QUEST#3,0\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} _                                       3.59          _              _            false\n",
 "/QUESTDB_website/data/fluo/ketene_CC3_aug-cc-pVTZ_addon.dat": "# Molecule : Ketene\n# Comment  : \n# code     : \n# method   : CC3,aug-cc-pVTZ\n# geom     : CC3,aug-cc-pVTZ\n# set      : QUEST#1,1\n\n# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe\n#######################  #######################  ########################################  ############# ####### ##################### #############\n# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe\n  1       1     A^\\prime   1       1     A^{\\prime\\prime} (\\mathrm{V};\\pi \\rightarrow \\pi^\\star)  1.00          _              _            false\n",
 "/QUESTDB_website/data/structures/QUEST3/thiopropynal.xyz": "6\nThiopropynal,^1A^\\prime,CC3,aug-cc-pVTZ\nC   -0.00202635            0.00000000           -0.66279397\nC   -1.20563726            0.00000000            0.08018483\nC   -2.25593316            0.00000000            0.68554269\nS    1.49185792            0.00000000           -0.00438674\nH   -0.12201234            0.00000000           -1.74026373\nH   -3.16296081            0.00000000            1.23407793",
 "/QUESTDB_website/data/structures/QUEST3/imidazole.xyz": "9\nImidazole,^1A^\\prime,CC3,aug-cc-pVTZ\nC    0.22047002            1.09013818            0.00000000\nC   -0.80762172           -0.85908302            0.00000000  \nC    0.55119348           -1.02135132            0.00000000\nN   -1.00726640            0.50226832            0.00000000\nN    1.18649703            0.20152884            0.00000000  \nH    0.34661972            2.15771096            0.00000000 \nH   -1.89181141            0.97423200            0.00000000  \nH   -1.62120791           -1.55873998            0.00000000 \nH    1.10425494           -1.94208619            0.00000000",
 "/QUESTDB_website/data/structures/QUEST3/diacetylene.xyz": "6\nDiacetylene,^1\\Sigma_g,CC3,aug-cc-pVTZ\nC    0.00000000            0.00000000            0.68500773\nC    0.00000000            0.00000000           -0.68500773\nC    0.00000000            0.00000000            1.89682740\nC    0.00000000            0.00000000           -1.89682740\nH    0.00000000            0.00000000            2.95779899\nH    0.00000000            0.00000000           -2.95779899",
 "/QUESTDB_website/data/structures/QUEST3/pyrazine.xyz": "10\nPyrazine,^1A_g,CC3,aug-cc-pVTZ\nC    0.00000000            1.12814594            0.69592552   \nC    0.00000000           -1.12814594            0.69592552   \nC    0.00000000            1.12814594           -0.69592552   \nC    0.00000000           -1.12814594           -0.69592552  \nN    0.00000000            0.00000000            1.41089287    \nN    0.00000000            0.00000000           -1.41089287    \nH    0.00000000            2.05718388            1.24480592   \nH    0.00000000           -2.05718388            1.24480592   \nH    0.00000000            2.05718388           -1.24480592   \nH    0.00000000           -2.05718388           -1.24480592",
 "/QUESTDB_website/data/structures/QUEST3/pyrimidine.xyz": "10\nPyrimidine,^1A_1,CC3,aug-cc-pVTZ\nC    0.00000000            0.00000000            1.27806007\nC    0.00000000            0.00000000           -1.37803506\nC    0.00000000            1.18150751           -0.65019687\nC    0.00000000           -1.18150751           -0.65019687\nN    0.00000000            1.19707397            0.68591814\nN    0.00000000           -1.19707397            0.68591814\nH    0.00000000            0.00000000            2.35896752\nH    0.00000000            0.00000000           -2.45602226\nH    0.00000000            2.14395798           -1.14488415\nH    0.00000000           -2.14395798           -1.14488415",
 "/QUESTDB_website/data/structures/QUEST3/cyanoformaldehyde.xyz": "5\nCyanoformaldehyde,^1A^\\prime,CC3,aug-cc-pVTZ\nC   -0.48452250            0.00000000           -0.64836291\nC   -0.00577977            0.00000000            0.73832485\nN    0.33957439            0.00000000            1.84587767\nO    0.26900027            0.00000000           -1.58931955\nH   -1.57272638            0.00000000           -0.75442506",
 "/QUESTDB_website/data/structures/QUEST3/cyclopropenethione.xyz": "6\nCyclopropenethione,^1A_1,CC3,aug-cc-pVTZ\nC    0.00000000            0.66798433           -1.51647332\nC    0.00000000           -0.66798433           -1.51647332\nC    0.00000000            0.00000000           -0.26053106\nS    0.00000000            0.00000000            1.36433357\nH    0.00000000            1.57574861           -2.09085356\nH    0.00000000           -1.57574861           -2.09085356",
 "/QUESTDB_website/data/structures/QUEST3/acetone.xyz": "10\nAcetone,^1A_1,CC3,aug-cc-pVTZ\nC    0.00000000            0.00000000            0.09952607\nC    0.00000000            1.28064878           -0.69726875\nC    0.00000000           -1.28064878           -0.69726875\nO    0.00000000            0.00000000            1.31378347\nH    0.00000000            2.13623936           -0.02743854\nH    0.00000000           -2.13623936           -0.02743854\nH    0.87875832            1.31458483           -1.34408516\nH   -0.87875832            1.31458483           -1.34408516 \nH    0.87875832           -1.31458483           -1.34408516\nH   -0.87875832           -1.31458483           -1.34408516",
 "/QUESTDB_website/data/structures/QUEST3/thiophene.xyz": "9\nThiophene,^1A_1,CC3,aug-cc-pVTZ\nC    0.00000000            1.23479556           -0.05216852\nC    0.00000000           -1.23479556           -0.05216852\nC    0.00000000            0.71106451           -1.31393498\nC    0.00000000           -0.71106451           -1.31393498\nS    0.00000000            0.00000000            1.14964115\nH    0.00000000            2.27031849            0.23589289\nH    0.00000000           -2.27031849            0.23589289\nH    0.00000000            1.31638150           -2.20544335\nH    0.00000000           -1.31638150           -2.20544335",
 "/QUESTDB_website/data/structures/QUEST3/tetrazine.xyz": "8\nTetrazine,^1A_g,CC3,aug-cc-pVTZ\nC    0.00000000            0.00000000            1.26054332\nC    0.00000000            0.00000000           -1.26054332\nN    1.19421138            0.00000000            0.66133002\nN   -1.19421138            0.00000000            0.66133002\nN    1.19421138            0.00000000           -0.66133002\nN   -1.19421138            0.00000000           -0.66133002\nH    0.00000000            0.00000000            2.33817427\nH    0.00000000            0.00000000           -2.33817427",
 "/QUESTDB_website/data/structures/QUEST3/cyanoacetylene.xyz": "5\nCyanoacetylene,^1\\Sigma^+,CC3,aug-cc-pVTZ\nC    0.00000000            0.00000000           -1.90038216\nC    0.00000000            0.00000000           -0.69160236\nC    0.00000000            0.00000000            0.68200486\nN    0.00000000            0.00000000            1.84519972\nH    0.00000000            0.00000000           -2.96138090\n\n5\nCyanoacetylene,^1A^\\prime,aug-cc-pVTZ\nC    1.05523849            0.00000000            1.49112124\nC   -0.03865253            0.00000000            0.70447126\nC   -0.33671613            0.00000000           -0.60620783\nN   -0.73955561            0.00000000           -1.72593604\nH    1.00940477            0.00000000            2.57857037",
 "/QUESTDB_website/data/structures/QUEST3/cyclopentadiene.xyz": "11\nCyclopentadiene,^1A_1,CC3,aug-cc-pVTZ\nC    0.00000000            0.00000000           -1.23358114\nC    0.00000000            1.17587987           -0.30094937\nC    0.00000000           -1.17587987           -0.30094937\nC    0.00000000            0.73298691            0.97248442\nC    0.00000000           -0.73298691            0.97248442\nH    0.87912477            0.00000000           -1.88606325\nH   -0.87912477            0.00000000           -1.88606325\nH    0.00000000            2.20428981           -0.62504626\nH    0.00000000           -2.20428981           -0.62504626\nH    0.00000000            1.34683318            1.85927632\nH    0.00000000           -1.34683318            1.85927632",
 "/QUESTDB_website/data/structures/QUEST3/pyridine.xyz": "11\nPyridine,^1A_1,CC3,aug-cc-pVTZ\nC    0.00000000            0.00000000           -1.40999871\nC    0.00000000            1.19326807           -0.69888375\nC    0.00000000           -1.19326807           -0.69888375\nC    0.00000000            1.13984027            0.69147391\nC    0.00000000           -1.13984027            0.69147391\nN    0.00000000            0.00000000            1.39056622\nH    0.00000000            0.00000000           -2.49052765\nH    0.00000000            2.14723447           -1.20454196\nH    0.00000000           -2.14723447           -1.20454196 \nH    0.00000000            2.05352021            1.27183287\nH    0.00000000           -2.05352021            1.27183287",
 "/QUESTDB_website/data/structures/QUEST3/butadiene.xyz": "10\nButadiene,^1A_g,CC3,aug-cc-pVTZ\nC    0.60673471            0.00000000            0.39936380\nC   -0.60673471            0.00000000           -0.39936380\nC    1.84223863            0.00000000           -0.11897388\nC   -1.84223863            0.00000000            0.11897388 \nH    0.48033933            0.00000000            1.47579018 \nH   -0.48033933            0.00000000           -1.47579018 \nH    1.99778057            0.00000000           -1.19009558 \nH   -1.99778057            0.00000000            1.19009558 \nH    2.71819794            0.00000000            0.51257105 \nH   -2.71819794            0.00000000           -0.51257105",
 "/QUESTDB_website/data/structures/QUEST3/furan.xyz": "9\nFuran,^1A_1,CC3,aug-cc-pVTZ\nC    0.00000000            1.09204092           -0.31777753\nC    0.00000000           -1.09204092           -0.31777753\nC    0.00000000            0.71623383            0.98604985\nC    0.00000000           -0.71623383            0.98604985\nO    0.00000000            0.00000000           -1.13214994\nH    0.00000000            2.04440888           -0.81369302\nH    0.00000000           -2.04440888           -0.81369302\nH    0.00000000            1.37146217            1.83713421\nH    0.00000000           -1.37146217            1.83713421",
 "/QUESTDB_website/data/structures/QUEST3/propynal.xyz": "6\nPropynal,^1A^\\prime,CC3,aug-cc-pVTZ\nC   -0.41302871            0.00000000           -0.73502918\nC   -0.09458282            0.00000000            0.67642536\nC    0.12575216            0.00000000            1.86611591\nO    0.42410376            0.00000000           -1.61202369\nH   -1.48546959            0.00000000           -0.96717057\nH    0.33881211            0.00000000            2.90440602",
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 "/QUESTDB_website/data/structures/QUEST5/aza-naphthalene.xyz": "14\nAza-naphthalene,^1A_g,CC3/cc-pVTZ\nC    0.00000000            0.70770032            0.00000000\nC    0.00000000           -0.70770032            0.00000000\nC    2.25666080            0.70974464            0.00000000\nC   -2.25666080            0.70974464            0.00000000\nC    2.25666080           -0.70974464            0.00000000\nC   -2.25666080           -0.70974464            0.00000000\nN    1.15520116            1.42251481            0.00000000\nN   -1.15520116            1.42251481            0.00000000\nN    1.15520116           -1.42251481            0.00000000\nN   -1.15520116           -1.42251481            0.00000000\nH    3.19442032            1.24604053            0.00000000\nH   -3.19442032            1.24604053            0.00000000\nH    3.19442032           -1.24604053            0.00000000\nH   -3.19442032           -1.24604053            0.00000000",
 "/QUESTDB_website/data/structures/QUEST5/diazirine.xyz": "5\nDiazirine,^1A_1,CC3,aug-cc-pVTZ\nC    0.0000000000            0.0000000000           -0.1412696719\nH    0.0000000000            0.9307745323           -0.6806090886\nH    0.0000000000           -0.9307745323           -0.6806090886\nN    0.6141530166            0.0000000000            1.2022006973\nN   -0.6141530166            0.0000000000            1.2022006973",
 "/QUESTDB_website/data/structures/QUEST5/streptocyanine-c5.xyz": "16\nStreptocyanine-C5,^1A_1,CC3/cc-pVTZ\nC    0.00000000            0.00000000            0.24795892\nC    0.00000000            1.23531029           -0.38408683\nC    0.00000000           -1.23531029           -0.38408683\nC    0.00000000            2.38992520            0.37451764\nC    0.00000000           -2.38992520            0.37451764\nN    0.00000000            3.62239341           -0.10342271\nN    0.00000000           -3.62239341           -0.10342271\nH    0.00000000            0.00000000            1.33181441\nH    0.00000000            1.29625530           -1.46127206\nH    0.00000000           -1.29625530           -1.46127206\nH    0.00000000            2.31129176            1.45253262\nH    0.00000000           -2.31129176            1.45253262\nH    0.00000000            4.41659809            0.51113834\nH    0.00000000           -4.41659809            0.51113834\nH    0.00000000            3.80023786           -1.09357830\nH    0.00000000           -3.80023786           -1.09357830",
 "/QUESTDB_website/data/structures/QUEST5/maleimide.xyz": "10\nMaleimide,^1A_1,CC3,aug-cc-pVTZ\nC    0.00000000            1.15016879            0.13317038\nC    0.00000000           -1.15016879            0.13317038\nC    0.00000000            0.66791856           -1.28160874\nC    0.00000000           -0.66791856           -1.28160874\nN    0.00000000            0.00000000            0.91200910\nO    0.00000000            2.28979857            0.53524897\nO    0.00000000           -2.28979857            0.53524897\nH    0.00000000            0.00000000            1.91671213\nH    0.00000000            1.34909216           -2.11477390\nH    0.00000000           -1.34909216           -2.11477390",
 "/QUESTDB_website/data/structures/QUEST5/naphthalene.xyz": "18\nNaphthalene,^1A_g,CC3/cc-pVTZ\nC    0.00000000            0.70909494            0.00000000\nC    0.00000000           -0.70909494            0.00000000\nC    1.23710973            1.39618950            0.00000000\nC   -1.23710973            1.39618950            0.00000000\nC    1.23710973           -1.39618950            0.00000000\nC   -1.23710973           -1.39618950            0.00000000\nC    2.42344619            0.70691221            0.00000000\nC   -2.42344619            0.70691221            0.00000000\nC    2.42344619           -0.70691221            0.00000000\nC   -2.42344619           -0.70691221            0.00000000\nH    1.23239147            2.47628164            0.00000000\nH   -1.23239147            2.47628164            0.00000000\nH    1.23239147           -2.47628164            0.00000000\nH   -1.23239147           -2.47628164            0.00000000\nH    3.35966148            1.24119417            0.00000000\nH   -3.35966148            1.24119417            0.00000000\nH    3.35966148           -1.24119417            0.00000000\nH   -3.35966148           -1.24119417            0.00000000",
 "/QUESTDB_website/data/structures/QUEST5/cyclopentadienethione.xyz": "10\nCyclopentadienethione,^1A_1,CC3,aug-cc-pVTZ\nC    0.00000000            0.00000000            0.28955986\nC    0.00000000            1.18215089           -0.59082034\nC    0.00000000           -1.18215089           -0.59082034\nC    0.00000000            0.74411969           -1.86472487\nC    0.00000000           -0.74411969           -1.86472487\nS    0.00000000            0.00000000            1.92262669\nH    0.00000000            2.19382547           -0.22612803 \nH    0.00000000           -2.19382547           -0.22612803 \nH    0.00000000            1.34987932           -2.75652754\nH    0.00000000           -1.34987932           -2.75652754",
 "/QUESTDB_website/data/structures/QUEST5/hexatriene.xyz": "14\nHexatriene,^1A_g,CC3,aug-cc-pVTZ\nC    0.60339339            0.29949761            0.00000000\nC   -0.60339339           -0.29949761            0.00000000\nC    1.86027300           -0.41756279            0.00000000\nC   -1.86027300            0.41756279            0.00000000\nC    3.06217998            0.17861930            0.00000000\nC   -3.06217998           -0.17861930            0.00000000\nH    0.65325904            1.38424312            0.00000000\nH   -0.65325904           -1.38424312            0.00000000\nH    1.80329639           -1.50000213            0.00000000\nH   -1.80329639            1.50000213            0.00000000\nH    3.14885369            1.25746431            0.00000000\nH   -3.14885369           -1.25746431            0.00000000\nH    3.97661154           -0.39587705            0.00000000\nH   -3.97661154            0.39587705            0.00000000",
 "/QUESTDB_website/data/structures/QUEST5/nitroxyl.xyz": "3\nNitroxyl,^1A^\\prime,CC3,aug-cc-pVTZ\nO    0.11165478            0.00000000            1.14017824\nN   -0.23694895            0.00000000           -0.01899356\nH    0.62529418            0.00000000           -0.62118467",
 "/QUESTDB_website/data/structures/QUEST5/benzoquinone.xyz": "12\nBenzoquinone,^1A_g,CC3,aug-cc-pVTZ\nC    1.43654376            0.00000000            0.00000000\nC   -1.43654376            0.00000000            0.00000000\nC    0.67018012            1.26325165            0.00000000\nC    0.67018012           -1.26325165            0.00000000\nC   -0.67018012            1.26325165            0.00000000\nC   -0.67018012           -1.26325165            0.00000000\nO    2.65968513            0.00000000            0.00000000\nO   -2.65968513            0.00000000            0.00000000\nH    1.25530716            2.17131386            0.00000000\nH    1.25530716           -2.17131386            0.00000000\nH   -1.25530716            2.17131386            0.00000000\nH   -1.25530716           -2.17131386            0.00000000",
 "/QUESTDB_website/data/structures/QUEST5/octatetraene.xyz": "18\nOctatetraene,^1A_g,CC3,cc-pVTZ\nC     0.63315647            0.34288002            0.00000000\nC    -0.63315647           -0.34288002            0.00000000\nC     1.82960447           -0.28027717            0.00000000\nC    -1.82960447            0.28027717            0.00000000\nC     3.09941759            0.41077696            0.00000000\nC    -3.09941759           -0.41077696            0.00000000\nC     4.28911826           -0.21008686            0.00000000\nC    -4.28911826            0.21008686            0.00000000\nH     0.60756424            1.42510016            0.00000000\nH    -0.60756424           -1.42510016            0.00000000\nH     1.85721281           -1.36229600            0.00000000\nH    -1.85721281            1.36229600            0.00000000\nH     3.06377334            1.49139201            0.00000000\nH    -3.06377334           -1.49139201            0.00000000\nH     4.35256837           -1.28854704            0.00000000\nH    -4.35256837            1.28854704            0.00000000\nH     5.21370282            0.34408654            0.00000000\nH    -5.21370282           -0.34408654            0.00000000",
 "/QUESTDB_website/data/structures/QUEST1/thioformaldehyde.xyz": "4\nThioformaldehyde,^1A_1,CC3,aug-cc-pVTZ\nC    0.00000000            0.00000000           -1.10427274\nS    0.00000000            0.00000000            0.51463116\nH    0.00000000            0.91895736           -1.67756323\nH    0.00000000           -0.91895736           -1.67756323\n\n4\nThioformaldehyde,^1A_1,CC3,aug-cc-pVTZ\nC    0.00000000            0.00000000           -1.16554829\nS    0.00000000            0.00000000            0.54355587\nH    0.00000000            0.93470789           -1.70347110\nH    0.00000000           -0.93470789           -1.70347110",
 "/QUESTDB_website/data/structures/QUEST1/formamide.xyz": "6\nFormamide,^1A^\\prime,CC3,aug-cc-pVTZ\nC    0.00096902            0.00000000            0.41970790\nO    1.20026470            0.00000000            0.23240841\nN   -0.93604058            0.00000000           -0.56208803\nH   -0.44521509            0.00000000            1.42281192\nH   -0.64165073            0.00000000           -1.52189729\nH   -1.91365033            0.00000000           -0.34413091",
 "/QUESTDB_website/data/structures/QUEST1/cyclopropene.xyz": "7\nCyclopropene,^1A_1,CC3,aug-cc-pVTZ\nC    0.00000000            0.00000000           -0.88277808\nC    0.00000000            0.64836859            0.47986540\nC    0.00000000           -0.64836859            0.47986540\nH    0.91153656            0.00000000           -1.47048371\nH   -0.91153656            0.00000000           -1.47048371\nH    0.00000000            1.57612532            1.01642650\nH    0.00000000           -1.57612532            1.01642650",
 "/QUESTDB_website/data/structures/QUEST1/ketene.xyz": "5\nKetene,^1A_1,CC3,aug-cc-pVTZ\nC    0.00000000            0.00000000           -1.29547953\nC    0.00000000            0.00000000            0.01851350\nO    0.00000000            0.00000000            1.18357846\nH    0.00000000            0.93893013           -1.81881376\nH    0.00000000           -0.93893013           -1.81881376\n\n5\nKetene,^1A^\\prime,CC3,aug-cc-pVTZ\nC    1.08114240            0.00000000           -0.49243496\nC    0.00212157            0.00000000            0.44202910\nO   -1.18382434            0.00000000            0.24863171\nH    0.86575253            0.00000000           -1.55412662\nH    2.09666784            0.00000000           -0.14102122\n",
 "/QUESTDB_website/data/structures/QUEST1/hydrogen_chloride.xyz": "2\nHydrogen chloride,^1\\Sigma^+,CC3,aug-cc-pVTZ\nCl   0.00000000            0.00000000           -0.01317536\nH    0.00000000            0.00000000            1.26199843",
 "/QUESTDB_website/data/structures/QUEST1/methanimine.xyz": "5\nMethanimine,^1A^\\prime,CC3,aug-cc-pVTZ\nC    0.05660421            0.00000000            0.58786894\nN    0.05696070            0.00000000           -0.68622506\nH   -0.84213766            0.00000000            1.20280208\nH    1.00795114            0.00000000            1.10806523\nH   -0.89936939            0.00000000           -1.03833820\n",
 "/QUESTDB_website/data/structures/QUEST1/streptocyanine-c1.xyz": "8\nStreptocyanine-C1,^1A_1,CC3,aug-cc-pVTZ\nC    0.00000000            0.00000000            0.42592856\nN    0.00000000            1.16113896           -0.17770068\nN    0.00000000           -1.16113896           -0.17770068\nH    0.00000000            0.00000000            1.50517557\nH    0.00000000            1.25403524           -1.18203359\nH    0.00000000           -1.25403524           -1.18203359\nH    0.00000000            2.00776527            0.36724478\nH    0.00000000           -2.00776527            0.36724478",
 "/QUESTDB_website/data/structures/QUEST1/hydrogen_sulfide.xyz": "3\nHydrogen sulfide,^1A_1,CC3,aug-cc-pVTZ\nS    0.00000000            0.00000000           -0.26652056\nH    0.00000000            0.96219289            0.66259489\nH    0.00000000           -0.96219289            0.66259489",
 "/QUESTDB_website/data/structures/QUEST1/water.xyz": "3\nWater,^1A_1,CC3,aug-cc-pVTZ\nO    0.00000000            0.00000000           -0.06990256\nH    0.00000000            0.75753241            0.51843495\nH    0.00000000           -0.75753241            0.51843495",
 "/QUESTDB_website/data/structures/QUEST1/formaldehyde.xyz": "4\nFormaldehyde,^1A_1,CC3,aug-cc-pVTZ\nC    0.00000000            0.00000000           -0.60298508\nO    0.00000000            0.00000000            0.60539399\nH    0.00000000            0.93467313           -1.18217476\nH    0.00000000           -0.93467313           -1.18217476\n\n4\nFormaldehyde,^1A^\\prime,CC3,aug-cc-pVTZ\nC   -0.05261453            0.00000000            0.67243114\nO    0.01051633            0.00000000           -0.65237250\nH    0.22637595            0.93521292            1.15609813\nH    0.22637595           -0.93521292            1.15609813\n",
 "/QUESTDB_website/data/structures/QUEST1/carbon_monoxide.xyz": "2\nCarbon monoxide,^1\\Sigma^+,CC3,aug-cc-pVTZ\nC    0.00000000            0.00000000           -0.66116488\nO    0.00000000            0.00000000            0.47237899",
 "/QUESTDB_website/data/structures/QUEST1/nitrosomethane.xyz": "6\nNitrosomethane,^1A^\\prime,CC3,aug-cc-pVTZ\nC    -0.94419297            0.00000000           -0.56740524\nN    -0.00286683            0.00000000            0.57183096\nO     1.15791903            0.00000000            0.22993880\nH    -0.40928669            0.00000000           -1.51564611\nH    -1.57415127            0.88267715           -0.45733920\nH    -1.57415127           -0.88267715           -0.45733920\n\n6\nNitrosomethane,^1A^\\prime,CC3,aug-cc-pVTZ\nC     0.98589034            0.00000000           -0.56111355\nN     0.00337982            0.00000000            0.54265012\nO    -1.20082518            0.00000000            0.25241483\nH     1.97171497            0.00000000           -0.11162916\nH     0.83869903            0.89412308           -1.16936112\nH     0.83869903           -0.89412308           -1.16936112",
 "/QUESTDB_website/data/structures/QUEST1/acetylene.xyz": "4\nAcetylene,^1\\Sigma_g,CC3,aug-cc-pVTZ\nC    0.00000000            0.00000000            0.60351788\nC    0.00000000            0.00000000           -0.60351788\nH    0.00000000            0.00000000            1.66166429\nH    0.00000000            0.00000000           -1.66166429\n\n4\nAcetylene,^1A_u,CC3,aug-cc-pVTZ\nC    0.68564316            0.00000000           -0.00976886\nC   -0.68564316            0.00000000            0.00976886\nH    1.28028433            0.00000000            0.90426692 \nH   -1.28028433            0.00000000           -0.90426692\n\n4\nAcetylene,^1A_2,CC3,aug-cc-pVTZ\nC    0.00000000            0.67117931           -0.06205209\nC    0.00000000           -0.67117931           -0.06205209\nH    0.00000000            1.41439715            0.73888624\nH    0.00000000           -1.41439715            0.73888624",
 "/QUESTDB_website/data/structures/QUEST1/ammonia.xyz": "4\nAmmonia,^1A_1,CC3,aug-cc-pVTZ\nN    0.06775910           0.00000000            0.00000000\nH   -0.31382291            0.46874559           -0.81189118\nH   -0.31382291           -0.93749118           0.00000000\nH   -0.31382291            0.46874559            0.81189118\n",
 "/QUESTDB_website/data/structures/QUEST1/diazomethane.xyz": "5\nDiazomethane,^1A_1,CC3,aug-cc-pVTZ\nC    0.00000000            0.00000000           -1.22149978\nN    0.00000000            0.00000000            0.07650786\nN    0.00000000            0.00000000            1.21670126\nH    0.00000000            0.95185857           -1.71597520\nH    0.00000000           -0.95185857           -1.71597520\n\n5\nDiazomethane,^1A^\\prime,CC3,aug-cc-pVTZ\nC    0.95360965            0.00000000           -0.54711349\nN   -0.00922733            0.00000000            0.44843717\nN   -1.19172700            0.00000000            0.28594082  \nH    1.98060759            0.00000000           -0.23482722\nH    0.63562410            0.00000000           -1.57896028",
 "/QUESTDB_website/data/structures/QUEST1/dinitrogen.xyz": "2\nDinitrogen,^1\\Sigma_g,CC3,aug-cc-pVTZ\nN    0.00000000            0.00000000            0.55038998\nN    0.00000000            0.00000000           -0.55038998",
 "/QUESTDB_website/data/structures/QUEST1/acetaldehyde.xyz": "7\nAcetaldehyde,^1A^\\prime,CC3,aug-cc-pVTZ\nC   -0.00124094            0.00000000            0.46104598\nC   -0.93054640            0.00000000           -0.71424991\nO    1.20624568            0.00000000            0.38083840\nH   -0.49162964            0.00000000            1.44957198\nH   -1.57671241            0.87868017           -0.66257994\nH   -1.57671241           -0.87868017           -0.66257994\nH   -0.37065389            0.00000000           -1.64609256",
 "/QUESTDB_website/data/structures/QUEST1/ethylene.xyz": "6\nEthylene,^1A_g,CC3,aug-cc-pVTZ\nC    0.00000000            0.66690396            0.00000000\nC    0.00000000           -0.66690396            0.00000000\nH    0.00000000            1.22952195            0.92229064\nH    0.00000000           -1.22952195            0.92229064\nH    0.00000000            1.22952195           -0.92229064\nH    0.00000000           -1.22952195           -0.92229064",
 "/QUESTDB_website/data/structures/QUEST2/pyrazine.xyz": "10\nPyrazine,^1A_g,CC3,aug-cc-pVTZ\nN   -1.41089287    0.00000000    0.00000000\nN    1.41089287    0.00000000    0.00000000\nC   -0.69592552    1.12814594    0.00000000\nC   -0.69592552   -1.12814594    0.00000000\nC    0.69592552    1.12814594    0.00000000\nC    0.69592552   -1.12814594    0.00000000\nH   -1.24480592    2.05718388    0.00000000\nH   -1.24480592   -2.05718388    0.00000000\nH    1.24480592    2.05718388    0.00000000\nH    1.24480592   -2.05718388    0.00000000",
 "/QUESTDB_website/data/structures/QUEST2/carbon_trimer.xyz": "3\nCarbon trimer,^1\\Sigma_g^+,CC3,aug-cc-pVTZ\nC    0.00000000    0.00000000    0.00000000\nC    0.00000000    0.00000000    1.29831307\nC    0.00000000    0.00000000   -1.29831307",
 "/QUESTDB_website/data/structures/QUEST2/tetrazine.xyz": "8\nTetrazine,^1A_g,CC3,aug-cc-pVTZ\nC  0.00000000  0.00000000   1.26054332\nC  0.00000000  0.00000000  -1.26054332\nN  0.00000000  1.19421138   0.66133002\nN  0.00000000 -1.19421138   0.66133002\nN  0.00000000  1.19421138  -0.66133002\nN  0.00000000 -1.19421138  -0.66133002\nH  0.00000000  0.00000000   2.33817427\nH  0.00000000  0.00000000  -2.33817427",
 "/QUESTDB_website/data/structures/QUEST2/beryllium.xyz": "1\nBeryllium,^1S\nBe    0.00000000    0.00000000    0.00000000\n",
 "/QUESTDB_website/data/structures/QUEST2/hexatriene.xyz": "14\nHexatriene,^1A_g,CCSD(T),aug-cc-pVTZ\nC   -0.0001310    0.6729979   0.0000000\nC    0.0001310   -0.6729979   0.0000000\nC    1.2017199    1.4805689   0.0000000\nC   -1.2017199   -1.4805689   0.0000000\nC    1.2017199    2.8212388   0.0000000\nC   -1.2017199   -2.8212388   0.0000000\nH   -0.9492399    1.2000629   0.0000000\nH    0.9492399   -1.2000629   0.0000000\nH    2.1457369    0.9483699   0.0000000\nH   -2.1457369   -0.9483699   0.0000000\nH    0.2740430    3.3784027   0.0000000\nH   -0.2740430   -3.3784027   0.0000000\nH    2.1225609    3.3850807   0.0000000\nH   -2.1225609   -3.3850807   0.0000000",
 "/QUESTDB_website/data/structures/QUEST2/butadiene.xyz": "10\nButadiene,^1A_g,CC3,aug-cc-pVTZ\nC    0.60673471    0.00000000    0.39936380\nC   -0.60673471    0.00000000   -0.39936380\nC    1.84223863    0.00000000   -0.11897388\nC   -1.84223863    0.00000000    0.11897388\nH    0.48033933    0.00000000    1.47579018\nH   -0.48033933    0.00000000   -1.47579018\nH    1.99778057    0.00000000   -1.19009558\nH   -1.99778057    0.00000000    1.19009558\nH    2.71819794    0.00000000    0.51257105\nH   -2.71819794    0.00000000   -0.51257105",
 "/QUESTDB_website/data/structures/QUEST2/formaldehyde.xyz": "4\nFormaldehyde,^1A_1,CC3,aug-cc-pVTZ\nC    0.00000000    0.00000000   -0.60298508\nO    0.00000000    0.00000000    0.60539399\nH    0.00000000    0.93467313   -1.18217476\nH    0.00000000   -0.93467313   -1.18217476",
 "/QUESTDB_website/data/structures/QUEST2/carbon_dimer.xyz": "2\nCarbon dimer,^1\\Sigma_g^+,CC3,aug-cc-pVTZ\nC    0.00000000    0.00000000    0.62402126\nC    0.00000000    0.00000000   -0.62402126",
 "/QUESTDB_website/data/structures/QUEST2/nitrosomethane.xyz": "6\nNitrosomethane,^1A^\\prime,CC3,aug-cc-pVTZ\nC   -0.94419297    0.00000000   -0.56740524\nN   -0.00286683    0.00000000    0.57183096\nO    1.15791903    0.00000000    0.22993880\nH   -0.40928669    0.00000000   -1.51564611\nH   -1.57415127    0.88267715   -0.45733920\nH   -1.57415127   -0.88267715   -0.45733920",
 "/QUESTDB_website/data/structures/QUEST2/benzene.xyz": "12\nBenzene,^1A_{1g},CC3,aug-cc-pVTZ\nC    0.00000000    1.39250319    0.00000000\nC   -1.20594314    0.69625160    0.00000000\nC   -1.20594314   -0.69625160    0.00000000\nC    0.00000000   -1.39250319    0.00000000\nC    1.20594314   -0.69625160    0.00000000\nC    1.20594314    0.69625160    0.00000000\nH   -2.14171677    1.23652075    0.00000000\nH   -2.14171677   -1.23652075    0.00000000\nH    0.00000000   -2.47304151    0.00000000\nH    2.14171677   -1.23652075    0.00000000\nH    2.14171677    1.23652075    0.00000000\nH    0.00000000    2.47304151    0.00000000",
 "/QUESTDB_website/data/structures/QUEST2/nitroxyl.xyz": "3\nNitroxyl,^1A^\\prime,CC3,aug-cc-pVTZ\nO    0.11165478    0.00000000    1.14017824\nN   -0.23694895    0.00000000   -0.01899356\nH    0.62529418    0.00000000   -0.62118467",
 "/QUESTDB_website/data/structures/QUEST2/glyoxal.xyz": "6\nGlyoxal,^1A_g,CC3,aug-cc-pVTZ\nC    0.64221096    0.40132913    0.00000000\nC   -0.64221096   -0.40132913    0.00000000\nO    1.72290261   -0.13998423    0.00000000\nO   -1.72290261    0.13998423    0.00000000\nH    0.50872597    1.49166188    0.00000000\nH   -0.50872597   -1.49166188    0.00000000",
 "/QUESTDB_website/data/structures/QUEST2/acrolein.xyz": "8\nAcrolein,^1A^\\prime,CC3,aug-cc-pVTZ\nC   -0.59080028   -0.36168618    0.00000000\nC    0.63844091    0.44299839    0.00000000\nC    1.83535092   -0.15278741    0.00000000\nO   -1.71276891    0.10153431    0.00000000\nH   -0.42659017   -1.45390030    0.00000000\nH    0.52229692    1.51669338    0.00000000\nH    2.75664742    0.40981367    0.00000000\nH    1.91007339   -1.23298686    0.00000000",
 "/QUESTDB_website/data/structures/QUEST2/ethylene.xyz": "6\nEthylene,^1A_g,CC3,aug-cc-pVTZ\nC    0.00000000    0.66690396     0.00000000\nC    0.00000000   -0.66690396     0.00000000\nH    0.00000000    1.22952195     0.92229064\nH    0.00000000   -1.22952195     0.92229064\nH    0.00000000    1.22952195    -0.92229064\nH    0.00000000   -1.22952195    -0.92229064"
}