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mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-12-23 21:03:54 +01:00

Add geometry

This commit is contained in:
Mickaël Véril 2019-12-18 19:28:00 +01:00
parent fc6b536cab
commit 8caf38678a
216 changed files with 216 additions and 216 deletions

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : CC3,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : CC3,aug-cc-pVTZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDT,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDT,aug-cc-pVTZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : TBE(FC)
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : TBE
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : exFCI,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : exFCI,aug-cc-pVTZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : CC3,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : CC3,aug-cc-pVTZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDTQ,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDT,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDT,aug-cc-pVTZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : TBE(FC)
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : TBE
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : exFCI,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : exFCI,aug-cc-pVTZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CC3,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : CC3,aug-cc-pVQZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : CC3,aug-cc-pVTZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDTQP,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDTQ,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDTQ,aug-cc-pVTZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDT,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDT,aug-cc-pVQZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDT,aug-cc-pVTZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : TBE(FC)
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : TBE
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : exFCI,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : exFCI,aug-cc-pVQZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
# Comment :
# code :
# method : exFCI,aug-cc-pVTZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CC3,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CC3,aug-cc-pVQZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CC3,aug-cc-pVTZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDTQP,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDTQ,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDTQ,aug-cc-pVTZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDT,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDT,aug-cc-pVQZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDT,aug-cc-pVTZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : exFCI,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : exFCI,aug-cc-pVQZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : exFCI,aug-cc-pVTZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : TBE(FC)
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : TBE
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CC3,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CC3,aug-cc-pVTZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDT,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDT,aug-cc-pVTZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : TBE(FC)
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : TBE
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : exFCI,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : exFCI,aug-cc-pVTZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CC3,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CC3,aug-cc-pVTZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDT,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDT,aug-cc-pVTZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : TBE(FC)
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : TBE
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : exFCI,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : exFCI,aug-cc-pVTZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CC3,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CC3,aug-cc-pVQZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CC3,aug-cc-pVTZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDTQP,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDTQ,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDTQ,aug-cc-pVTZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDT,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDT,aug-cc-pVQZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDT,aug-cc-pVTZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : TBE(FC)
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : TBE
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : exFCI,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : exFCI,aug-cc-pVQZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : exFCI,aug-cc-pVTZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CC3,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CC3,aug-cc-pVTZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDTQ,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : CCSDT,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
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# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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@ -2,7 +2,7 @@
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# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
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# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
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# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
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# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
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# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

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# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
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# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

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# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
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# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
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# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
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# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
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# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
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# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
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# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
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# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
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# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
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# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
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# method : CCSDT,aug-cc-pVTZ
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# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : TBE(FC)
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : TBE
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

View File

@ -2,7 +2,7 @@
# Comment :
# code :
# method : exFCI,aug-cc-pVDZ
# geom :
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe

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