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QUESTDB_website/static/data/abs
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Mickaël Véril 5193c5630f Fix QUEST#5 data and update it
2020-09-15 09:32:55 +02:00
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acetaldehyde_ADC(2.5)_aug-cc-pVTZ.dat
Add ADC(2.5) files
2020-09-14 11:30:57 +02:00
acetaldehyde_ADC(2)_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetaldehyde_ADC(3)_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetaldehyde_CC2_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetaldehyde_CC3_6-31+G(d).dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetaldehyde_CC3_aug-cc-pVDZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetaldehyde_CC3_aug-cc-pVQZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetaldehyde_CC3_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
acetaldehyde_CC3(Full)_aug-cc-pVQZ.dat
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2020-09-09 17:47:35 +02:00
acetaldehyde_CCSD_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetaldehyde_CCSDR(3)_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
acetaldehyde_CCSDT_6-31+G(d).dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetaldehyde_CCSDT_aug-cc-pVDZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetaldehyde_CCSDT_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
acetaldehyde_CCSDT-3_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
acetaldehyde_CIS(D)_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetaldehyde_CIS(D∞)_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetaldehyde_exp.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetaldehyde_FCI_aug-cc-pVDZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetaldehyde_FCI_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
acetaldehyde_TBE_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetaldehyde_TBE(Full)_CBS.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetone_ADC(2)_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetone_CC2_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetone_CC3_6-31+G(d).dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetone_CC3_aug-cc-pVDZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetone_CC3_aug-cc-pVQZ.dat
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2020-09-09 17:47:35 +02:00
acetone_CC3_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
acetone_CC3(Full)_aug-cc-pVQZ.dat
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2020-09-09 17:47:35 +02:00
acetone_CCSD_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetone_CCSDR(3)_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetone_CCSDT_6-31+G(d).dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetone_CCSDT_aug-cc-pVDZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetone_CCSDT_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetone_CCSDT-3_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetone_CCSDTQ_6-31+G(d).dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetone_CIS(D)_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetone_exp.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetone_FCI_6-31+G(d).dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetone_NEVPT2_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetone_STEOM-CCSD_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetone_TBE_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetone_TBE(Full)_CBS.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_ADC(2.5)_aug-cc-pVTZ.dat
Add ADC(2.5) files
2020-09-14 11:30:57 +02:00
acetylene_ADC(2)_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_ADC(3)_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_CC2_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_CC3_6-31+G(d).dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_CC3_aug-cc-pVDZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_CC3_aug-cc-pVQZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_CC3_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
acetylene_CC3_d-aug-cc-pVQZ.dat
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2020-09-09 17:47:35 +02:00
acetylene_CC3(Full)_aug-cc-pV5Z.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_CC3(Full)_aug-cc-pVQZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_CC3(Full)_d-aug-cc-pV5Z.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_CC3(Full)_d-aug-cc-pVQZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_CCSD_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_CCSDR(3)_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_CCSDT_6-31+G(d).dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_CCSDT_aug-cc-pVDZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_CCSDT_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_CCSDT-3_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_CCSDTQ_6-31+G(d).dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_CCSDTQ_aug-cc-pVDZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_CCSDTQ_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_CIS(D)_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_CIS(D∞)_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_exp.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_FCI_aug-cc-pVDZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_FCI_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_STEOM-CCSD_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_TBE_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acetylene_TBE(Full)_CBS.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_ADC(2)_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_CASPT2_6-31+G(d)_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_CASPT2_aug-cc-pVDZ_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_CASPT2_aug-cc-pVQZ_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_CASPT2_aug-cc-pVTZ_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_CC2_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_CC3_6-31+G(d)_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_CC3_6-31+G(d).dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_CC3_aug-cc-pVDZ_double.dat
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2020-09-09 17:47:35 +02:00
acrolein_CC3_aug-cc-pVDZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_CC3_aug-cc-pVQZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_CC3_aug-cc-pVTZ_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_CC3_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_CC3(Full)_aug-cc-pVQZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_CCSD_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_CCSDR(3)_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_CCSDT_6-31+G(d).dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_CCSDT_aug-cc-pVDZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_CCSDT_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_CCSDT-3_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_CIS(D)_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_exp.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_FCI_6-31+G(d)_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_FCI_6-31+G(d).dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_MS-CASPT2_6-31+G(d)_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_MS-CASPT2_aug-cc-pVDZ_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_MS-CASPT2_aug-cc-pVQZ_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_MS-CASPT2_aug-cc-pVTZ_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_NEVPT2_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_PC-NEVPT2_6-31+G(d)_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_PC-NEVPT2_aug-cc-pVDZ_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_PC-NEVPT2_aug-cc-pVQZ_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_PC-NEVPT2_aug-cc-pVTZ_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_SC-NEVPT2_6-31+G(d)_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_SC-NEVPT2_aug-cc-pVDZ_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_SC-NEVPT2_aug-cc-pVQZ_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_SC-NEVPT2_aug-cc-pVTZ_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_STEOM-CCSD_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_TBE_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_TBE_CBS_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_TBE(Full)_CBS.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_XMS-CASPT2_6-31+G(d)_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_XMS-CASPT2_aug-cc-pVDZ_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_XMS-CASPT2_aug-cc-pVQZ_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
acrolein_XMS-CASPT2_aug-cc-pVTZ_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
allyl_RO-CC3_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
allyl_RO-CCSD_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
allyl_TBE_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
allyl_U-CC3_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
allyl_U-CCSD_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
ammonia_ADC(2.5)_aug-cc-pVTZ.dat
Add ADC(2.5) files
2020-09-14 11:30:57 +02:00
ammonia_ADC(2)_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
ammonia_ADC(3)_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
ammonia_CC2_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
ammonia_CC3_6-31+G(d).dat
Article without DOI support
2020-09-09 17:47:35 +02:00
ammonia_CC3_aug-cc-pVDZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
ammonia_CC3_aug-cc-pVQZ.dat
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2020-09-09 17:47:35 +02:00
ammonia_CC3_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
ammonia_CC3_d-aug-cc-pVQZ.dat
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2020-09-09 17:47:35 +02:00
ammonia_CC3_d-aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
ammonia_CC3_t-aug-cc-pVQZ.dat
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2020-09-09 17:47:35 +02:00
ammonia_CC3(Full)_aug-cc-pV5Z.dat
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2020-09-09 17:47:35 +02:00
ammonia_CC3(Full)_aug-cc-pVQZ.dat
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2020-09-09 17:47:35 +02:00
ammonia_CC3(Full)_d-aug-cc-pV5Z.dat
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2020-09-09 17:47:35 +02:00
ammonia_CC3(Full)_d-aug-cc-pVQZ.dat
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2020-09-09 17:47:35 +02:00
ammonia_CC3(Full)_t-aug-cc-pVQZ.dat
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2020-09-09 17:47:35 +02:00
ammonia_CCSD_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
ammonia_CCSDR(3)_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
ammonia_CCSDT_6-31+G(d).dat
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2020-09-09 17:47:35 +02:00
ammonia_CCSDT_aug-cc-pVDZ.dat
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2020-09-09 17:47:35 +02:00
ammonia_CCSDT_aug-cc-pVQZ.dat
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2020-09-09 17:47:35 +02:00
ammonia_CCSDT_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
ammonia_CCSDT-3_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
ammonia_CCSDTQ_6-31+G(d).dat
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2020-09-09 17:47:35 +02:00
ammonia_CCSDTQ_aug-cc-pVDZ.dat
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2020-09-09 17:47:35 +02:00
ammonia_CCSDTQ_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
ammonia_CCSDTQP_aug-cc-pVDZ.dat
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2020-09-09 17:47:35 +02:00
ammonia_CIS(D)_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
ammonia_CIS(D∞)_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
ammonia_exp.dat
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2020-09-09 17:47:35 +02:00
ammonia_FCI_aug-cc-pVDZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
ammonia_FCI_aug-cc-pVQZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
ammonia_FCI_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
ammonia_STEOM-CCSD_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
ammonia_TBE_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
ammonia_TBE(Full)_CBS.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
aza-naphthalene_ADC(2.5)_aug-cc-pVTZ.dat
Fix QUEST#5 data and update it
2020-09-15 09:32:55 +02:00
aza-naphthalene_ADC(2)_aug-cc-pVTZ.dat
Add name to QUEST#5 article
2020-09-09 18:02:06 +02:00
aza-naphthalene_ADC(3)_aug-cc-pVTZ.dat
Add name to QUEST#5 article
2020-09-09 18:02:06 +02:00
aza-naphthalene_CC2_aug-cc-pVTZ.dat
Add name to QUEST#5 article
2020-09-09 18:02:06 +02:00
aza-naphthalene_CC3_aug-cc-pVTZ.dat
Fix QUEST#5 data and update it
2020-09-15 09:32:55 +02:00
aza-naphthalene_CCCSDT-3_aug-cc-pVTZ.dat
Add name to QUEST#5 article
2020-09-09 18:02:06 +02:00
aza-naphthalene_CCSD_aug-cc-pVTZ.dat
Add name to QUEST#5 article
2020-09-09 18:02:06 +02:00
aza-naphthalene_CCSD(2)_aug-cc-pVTZ.dat
Add name to QUEST#5 article
2020-09-09 18:02:06 +02:00
aza-naphthalene_CCSDR(3)_aug-cc-pVTZ.dat
Add name to QUEST#5 article
2020-09-09 18:02:06 +02:00
aza-naphthalene_CIS(D)_aug-cc-pVTZ.dat
Add name to QUEST#5 article
2020-09-09 18:02:06 +02:00
aza-naphthalene_SCS-CC2_aug-cc-pVTZ.dat
Fix QUEST#5 data and update it
2020-09-15 09:32:55 +02:00
aza-naphthalene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
Add name to QUEST#5 article
2020-09-09 18:02:06 +02:00
aza-naphthalene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
Fix missing geometry
2020-09-14 17:24:34 +02:00
aza-naphthalene_SOS-CC2_aug-cc-pVTZ.dat
Fix missing geometry
2020-09-14 17:24:34 +02:00
aza-naphthalene_TBE_aug-cc-pVTZ.dat
Fix QUEST#5 data and update it
2020-09-15 09:32:55 +02:00
bef_RO-CC3_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
bef_RO-CCSD_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
bef_TBE_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
bef_U-CC3_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
bef_U-CCSD_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
beh_RO-CC3_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
beh_RO-CCSD_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
beh_TBE_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
beh_U-CC3_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
beh_U-CCSD_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
benzene_ADC(2)_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
benzene_CASPT2_6-31+G(d)_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
benzene_CASPT2_aug-cc-pVDZ_double.dat
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2020-09-09 17:47:35 +02:00
benzene_CASPT2_aug-cc-pVQZ_double.dat
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2020-09-09 17:47:35 +02:00
benzene_CASPT2_aug-cc-pVTZ_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
benzene_CASPT2_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
benzene_CC2_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
benzene_CC3_6-31+G(d)_double.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
benzene_CC3_6-31+G(d).dat
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benzene_CC3_aug-cc-pVDZ_double.dat
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benzene_CC3_aug-cc-pVDZ.dat
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benzene_CC3_aug-cc-pVQZ.dat
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benzene_CC3_aug-cc-pVTZ_double.dat
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benzene_CC3_aug-cc-pVTZ.dat
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benzene_CCSD_aug-cc-pVTZ.dat
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benzene_CCSDR(3)_aug-cc-pVTZ.dat
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benzene_CCSDT_6-31+G(d)_double.dat
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benzene_CCSDT_6-31+G(d).dat
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benzene_CCSDT_aug-cc-pVDZ_double.dat
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benzene_CCSDT_aug-cc-pVDZ.dat
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benzene_CCSDT_aug-cc-pVTZ.dat
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benzene_CCSDT-3_aug-cc-pVTZ.dat
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benzene_CIS(D)_aug-cc-pVTZ.dat
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benzene_exp.dat
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benzene_FCI_6-31+G(d)_double.dat
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benzene_MS-CASPT2_6-31+G(d)_double.dat
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benzene_MS-CASPT2_aug-cc-pVDZ_double.dat
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benzene_MS-CASPT2_aug-cc-pVQZ_double.dat
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benzene_MS-CASPT2_aug-cc-pVTZ_double.dat
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benzene_NEVPT2_aug-cc-pVTZ.dat
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benzene_PC-NEVPT2_6-31+G(d)_double.dat
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benzene_PC-NEVPT2_aug-cc-pVDZ_double.dat
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benzene_PC-NEVPT2_aug-cc-pVQZ_double.dat
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benzene_PC-NEVPT2_aug-cc-pVTZ_double.dat
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benzene_SC-NEVPT2_6-31+G(d)_double.dat
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benzene_SC-NEVPT2_aug-cc-pVDZ_double.dat
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benzene_SC-NEVPT2_aug-cc-pVQZ_double.dat
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benzene_SC-NEVPT2_aug-cc-pVTZ_double.dat
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benzene_STEOM-CCSD_aug-cc-pVTZ.dat
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benzene_TBE_aug-cc-pVTZ.dat
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benzene_TBE_CBS_double.dat
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benzene_TBE(Full)_CBS.dat
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benzene_XMS-CASPT2_6-31+G(d)_double.dat
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benzene_XMS-CASPT2_aug-cc-pVDZ_double.dat
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benzene_XMS-CASPT2_aug-cc-pVQZ_double.dat
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benzene_XMS-CASPT2_aug-cc-pVTZ_double.dat
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benzoquinone_ADC(2.5)_aug-cc-pVTZ.dat
Fix QUEST#5 data and update it
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benzoquinone_ADC(2)_aug-cc-pVTZ.dat
Add name to QUEST#5 article
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benzoquinone_ADC(3)_aug-cc-pVTZ.dat
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benzoquinone_CC2_aug-cc-pVTZ.dat
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benzoquinone_CC3_aug-cc-pVTZ.dat
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benzoquinone_CCCSDT-3_aug-cc-pVTZ.dat
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benzoquinone_CCSD_aug-cc-pVTZ.dat
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benzoquinone_CCSD(2)_aug-cc-pVTZ.dat
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benzoquinone_CCSDR(3)_aug-cc-pVTZ.dat
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benzoquinone_CIS(D)_aug-cc-pVTZ.dat
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benzoquinone_SCS-CC2_aug-cc-pVTZ.dat
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benzoquinone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
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benzoquinone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
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benzoquinone_SOS-CC2_aug-cc-pVTZ.dat
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benzoquinone_STEOM-CCSD_aug-cc-pVTZ.dat
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benzoquinone_TBE_aug-cc-pVTZ.dat
Use TBE instead of TBE(FC) in QUEST#5 data
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beryllium_CASPT2_6-31+G(d)_double.dat
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beryllium_CASPT2_aug-cc-pVDZ_double.dat
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beryllium_CASPT2_aug-cc-pVQZ_double.dat
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beryllium_CASPT2_aug-cc-pVTZ_double.dat
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beryllium_CC3_6-31+G(d)_double.dat
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beryllium_CC3_aug-cc-pVDZ_double.dat
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beryllium_CC3_aug-cc-pVQZ_double.dat
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beryllium_CC3_aug-cc-pVTZ_double.dat
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beryllium_CCSDT_6-31+G(d)_double.dat
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beryllium_CCSDT_aug-cc-pVDZ_double.dat
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beryllium_CCSDT_aug-cc-pVQZ_double.dat
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beryllium_CCSDT_aug-cc-pVTZ_double.dat
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beryllium_CCSDTQ_6-31+G(d)_double.dat
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beryllium_CCSDTQ_aug-cc-pVDZ_double.dat
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beryllium_CCSDTQ_aug-cc-pVQZ_double.dat
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beryllium_CCSDTQ_aug-cc-pVTZ_double.dat
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beryllium_FCI_6-31+G(d)_double.dat
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beryllium_FCI_aug-cc-pVDZ_double.dat
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beryllium_FCI_aug-cc-pVQZ_double.dat
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beryllium_FCI_aug-cc-pVTZ_double.dat
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beryllium_NEVPT2_6-31+G(d)_double.dat
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beryllium_NEVPT2_aug-cc-pVDZ_double.dat
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beryllium_NEVPT2_aug-cc-pVQZ_double.dat
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beryllium_NEVPT2_aug-cc-pVTZ_double.dat
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beryllium_TBE_CBS_double.dat
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bh2_RO-CC3_aug-cc-pVTZ.dat
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bh2_RO-CCSD_aug-cc-pVTZ.dat
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bh2_TBE_aug-cc-pVTZ.dat
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bh2_U-CC3_aug-cc-pVTZ.dat
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bh2_U-CCSD_aug-cc-pVTZ.dat
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butadiene_ADC(2)_aug-cc-pVTZ.dat
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butadiene_CASPT2_6-31+G(d)_double.dat
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butadiene_CASPT2_aug-cc-pVDZ_double.dat
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butadiene_CASPT2_aug-cc-pVQZ_double.dat
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butadiene_CASPT2_aug-cc-pVTZ_double.dat
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butadiene_CC2_aug-cc-pVTZ.dat
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butadiene_CC3_6-31+G(d)_double.dat
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butadiene_CC3_6-31+G(d).dat
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butadiene_CC3_aug-cc-pVDZ_double.dat
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butadiene_CC3_aug-cc-pVDZ.dat
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butadiene_CC3_aug-cc-pVQZ_double.dat
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butadiene_CC3_aug-cc-pVQZ.dat
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butadiene_CC3_aug-cc-pVTZ_double.dat
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butadiene_CC3_aug-cc-pVTZ.dat
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butadiene_CC3_d-aug-cc-pVQZ.dat
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butadiene_CC3(Full)_aug-cc-pVQZ.dat
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butadiene_CCSD_aug-cc-pVTZ.dat
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butadiene_CCSDR(3)_aug-cc-pVTZ.dat
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butadiene_CCSDT_6-31+G(d)_double.dat
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butadiene_CCSDT_6-31+G(d).dat
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butadiene_CCSDT_aug-cc-pVDZ_double.dat
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butadiene_CCSDT_aug-cc-pVDZ.dat
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butadiene_CCSDT_aug-cc-pVTZ.dat
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butadiene_CCSDT-3_aug-cc-pVTZ.dat
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butadiene_CCSDTQ_6-31+G(d).dat
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butadiene_CIS(D)_aug-cc-pVTZ.dat
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butadiene_exp.dat
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butadiene_FCI_6-31+G(d)_double.dat
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butadiene_FCI_6-31+G(d).dat
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butadiene_FCI_aug-cc-pVDZ_double.dat
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butadiene_NEVPT2_aug-cc-pVTZ.dat
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butadiene_PC-NEVPT2_6-31+G(d)_double.dat
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butadiene_PC-NEVPT2_aug-cc-pVDZ_double.dat
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butadiene_PC-NEVPT2_aug-cc-pVQZ_double.dat
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butadiene_PC-NEVPT2_aug-cc-pVTZ_double.dat
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butadiene_SC-NEVPT2_6-31+G(d)_double.dat
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butadiene_SC-NEVPT2_aug-cc-pVDZ_double.dat
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butadiene_SC-NEVPT2_aug-cc-pVQZ_double.dat
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butadiene_SC-NEVPT2_aug-cc-pVTZ_double.dat
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butadiene_STEOM-CCSD_aug-cc-pVTZ.dat
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butadiene_TBE_aug-cc-pVTZ.dat
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butadiene_TBE_CBS_double.dat
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butadiene_TBE(Full)_CBS.dat
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carbon_dimer_CASPT2_6-31+G(d)_double.dat
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carbon_dimer_CASPT2_aug-cc-pVDZ_double.dat
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carbon_dimer_CASPT2_aug-cc-pVQZ_double.dat
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carbon_dimer_CASPT2_aug-cc-pVTZ_double.dat
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carbon_dimer_CC3_6-31+G(d)_double.dat
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carbon_dimer_CC3_aug-cc-pVDZ_double.dat
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carbon_dimer_CC3_aug-cc-pVQZ_double.dat
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carbon_dimer_CC3_aug-cc-pVTZ_double.dat
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carbon_dimer_CCSDT_6-31+G(d)_double.dat
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carbon_dimer_CCSDT_aug-cc-pVDZ_double.dat
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carbon_dimer_CCSDT_aug-cc-pVQZ_double.dat
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carbon_dimer_CCSDT_aug-cc-pVTZ_double.dat
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carbon_dimer_CCSDTQ_6-31+G(d)_double.dat
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carbon_dimer_CCSDTQ_aug-cc-pVDZ_double.dat
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carbon_dimer_CCSDTQ_aug-cc-pVTZ_double.dat
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carbon_dimer_CCSDTQP_6-31+G(d)_double.dat
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carbon_dimer_CCSDTQP_aug-cc-pVDZ_double.dat
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carbon_dimer_FCI_6-31+G(d)_double.dat
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carbon_dimer_FCI_aug-cc-pVDZ_double.dat
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carbon_dimer_FCI_aug-cc-pVQZ_double.dat
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carbon_dimer_FCI_aug-cc-pVTZ_double.dat
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carbon_dimer_PC-NEVPT2_6-31+G(d)_double.dat
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carbon_dimer_PC-NEVPT2_aug-cc-pVDZ_double.dat
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carbon_dimer_PC-NEVPT2_aug-cc-pVQZ_double.dat
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carbon_dimer_PC-NEVPT2_aug-cc-pVTZ_double.dat
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carbon_dimer_SC-NEVPT2_6-31+G(d)_double.dat
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carbon_dimer_SC-NEVPT2_aug-cc-pVDZ_double.dat
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carbon_dimer_SC-NEVPT2_aug-cc-pVQZ_double.dat
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carbon_dimer_SC-NEVPT2_aug-cc-pVTZ_double.dat
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carbon_dimer_TBE_CBS_double.dat
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2020-09-09 17:47:35 +02:00
carbon_monoxide_ADC(2.5)_aug-cc-pVTZ.dat
Add ADC(2.5) files
2020-09-14 11:30:57 +02:00
carbon_monoxide_ADC(2)_aug-cc-pVTZ.dat
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carbon_monoxide_ADC(3)_aug-cc-pVTZ.dat
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carbon_monoxide_CC2_aug-cc-pVTZ.dat
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carbon_monoxide_CC3_6-31+G(d).dat
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carbon_monoxide_CC3_aug-cc-pVDZ.dat
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carbon_monoxide_CC3_aug-cc-pVQZ.dat
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carbon_monoxide_CC3_aug-cc-pVTZ.dat
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carbon_monoxide_CC3_d-aug-cc-pVQZ.dat
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carbon_monoxide_CC3_t-aug-cc-pVQZ.dat
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carbon_monoxide_CC3(Full)_aug-cc-pV5Z.dat
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carbon_monoxide_CC3(Full)_aug-cc-pVQZ.dat
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carbon_monoxide_CC3(Full)_d-aug-cc-pV5Z.dat
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carbon_monoxide_CC3(Full)_d-aug-cc-pVQZ.dat
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carbon_monoxide_CC3(Full)_t-aug-cc-pVQZ.dat
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carbon_monoxide_CCSD_aug-cc-pVTZ.dat
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carbon_monoxide_CCSDR(3)_aug-cc-pVTZ.dat
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carbon_monoxide_CCSDT_6-31+G(d).dat
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carbon_monoxide_CCSDT_aug-cc-pVDZ.dat
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carbon_monoxide_CCSDT_aug-cc-pVQZ.dat
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carbon_monoxide_CCSDT_aug-cc-pVTZ.dat
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carbon_monoxide_CCSDT-3_aug-cc-pVTZ.dat
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carbon_monoxide_CCSDTQ_6-31+G(d).dat
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carbon_monoxide_CCSDTQ_aug-cc-pVDZ.dat
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carbon_monoxide_CCSDTQ_aug-cc-pVTZ.dat
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carbon_monoxide_CCSDTQP_aug-cc-pVDZ.dat
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carbon_monoxide_CIS(D)_aug-cc-pVTZ.dat
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carbon_monoxide_CIS(D∞)_aug-cc-pVTZ.dat
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carbon_monoxide_exp.dat
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carbon_monoxide_FCI_aug-cc-pVDZ.dat
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carbon_monoxide_FCI_aug-cc-pVQZ.dat
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carbon_monoxide_FCI_aug-cc-pVTZ.dat
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carbon_monoxide_STEOM-CCSD_aug-cc-pVTZ.dat
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carbon_monoxide_TBE_aug-cc-pVTZ.dat
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carbon_monoxide_TBE(Full)_CBS.dat
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carbon_trimer_CASPT2_6-31+G(d)_double.dat
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carbon_trimer_CASPT2_aug-cc-pVTZ_double.dat
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carbon_trimer_CC3_6-31+G(d)_double.dat
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carbon_trimer_CC3_aug-cc-pVDZ_double.dat
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carbon_trimer_CC3_aug-cc-pVTZ_double.dat
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carbon_trimer_CCSDT_6-31+G(d)_double.dat
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carbon_trimer_CCSDT_aug-cc-pVDZ_double.dat
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carbon_trimer_CCSDTQ_6-31+G(d)_double.dat
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carbon_trimer_CCSDTQ_aug-cc-pVDZ_double.dat
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carbon_trimer_FCI_6-31+G(d)_double.dat
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carbon_trimer_FCI_aug-cc-pVDZ_double.dat
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carbon_trimer_FCI_aug-cc-pVTZ_double.dat
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carbon_trimer_PC-NEVPT2_6-31+G(d)_double.dat
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carbon_trimer_PC-NEVPT2_aug-cc-pVDZ_double.dat
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carbon_trimer_PC-NEVPT2_aug-cc-pVTZ_double.dat
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carbon_trimer_SC-NEVPT2_6-31+G(d)_double.dat
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carbon_trimer_SC-NEVPT2_aug-cc-pVDZ_double.dat
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carbon_trimer_SC-NEVPT2_aug-cc-pVTZ_double.dat
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carbon_trimer_TBE_CBS_double.dat
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carbonylfluoride_ADC(2.5)_aug-cc-pVTZ.dat
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carbonylfluoride_ADC(2)_aug-cc-pVTZ.dat
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carbonylfluoride_CC2_aug-cc-pVTZ.dat
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carbonylfluoride_CC3_6-31+G(d).dat
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carbonylfluoride_CC3_aug-cc-pV5Z.dat
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carbonylfluoride_CC3_aug-cc-pVTZ.dat
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carbonylfluoride_CCSD_aug-cc-pVTZ.dat
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carbonylfluoride_CCSDR(3)_aug-cc-pVTZ.dat
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carbonylfluoride_CCSDT_6-31+G(d).dat
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carbonylfluoride_CCSDT_aug-cc-pVTZ.dat
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carbonylfluoride_CCSDT-3_aug-cc-pVTZ.dat
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carbonylfluoride_CIS(D)_aug-cc-pVTZ.dat
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carbonylfluoride_EOM-MP2_aug-cc-pVTZ.dat
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carbonylfluoride_FCI_aug-cc-pVDZ.dat
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carbonylfluoride_FCI_aug-cc-pVTZ.dat
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carbonylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat
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carbonylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
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carbonylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
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carbonylfluoride_TBE_aug-cc-pVTZ.dat
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carbonylfluoride_TBE(Full)_CBS.dat
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ccl2_ADC(2.5)_aug-cc-pVTZ.dat
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ccl2_CC3_6-31+G(d).dat
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ccl2_CCSDT_6-31+G(d).dat
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ccl2_CCSDTQ_6-31+G(d).dat
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ccl2_CIS(D)_aug-cc-pVTZ.dat
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ccl2_EOM-MP2_aug-cc-pVTZ.dat
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ccl2_FCI_aug-cc-pVTZ.dat
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ccl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat
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ccl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
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ccl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
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ccl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat
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ccl2_STEOM-CCSD_aug-cc-pVTZ.dat
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ccl2_TBE_aug-cc-pVTZ.dat
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ccl2_TBE(Full)_CBS.dat
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cclf_ADC(2.5)_aug-cc-pVTZ.dat
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cclf_ADC(2)_aug-cc-pVTZ.dat
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cclf_CC2_aug-cc-pVTZ.dat
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cclf_CC3_6-31+G(d).dat
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cclf_CC3_aug-cc-pV5Z.dat
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cclf_CC3_aug-cc-pVTZ.dat
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cclf_CC3(Full)_aug-cc-pCVQZ.dat
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cclf_CCSD_aug-cc-pVTZ.dat
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cclf_CCSDR(3)_aug-cc-pVTZ.dat
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cclf_CCSDT_6-31+G(d).dat
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cclf_CCSDT_aug-cc-pVDZ.dat
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cclf_CCSDT_aug-cc-pVTZ.dat
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cclf_CCSDT-3_aug-cc-pVTZ.dat
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cclf_CCSDTQ_6-31+G(d).dat
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cclf_CIS(D)_aug-cc-pVTZ.dat
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cclf_EOM-MP2_aug-cc-pVTZ.dat
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cclf_FCI_aug-cc-pVDZ.dat
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cclf_FCI_aug-cc-pVTZ.dat
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cclf_SCS-CC2 [TM]_aug-cc-pVTZ.dat
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cclf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
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cclf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
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cclf_SOS-CC2 [TM]_aug-cc-pVTZ.dat
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cclf_STEOM-CCSD_aug-cc-pVTZ.dat
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cclf_TBE_aug-cc-pVTZ.dat
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cclf_TBE(Full)_CBS.dat
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cf2_ADC(2.5)_aug-cc-pVTZ.dat
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cf2_ADC(2)_aug-cc-pVTZ.dat
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cf2_ADC(3)_aug-cc-pVTZ.dat
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cf2_CC2_aug-cc-pVTZ.dat
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cf2_CC3_6-31+G(d).dat
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cf2_CC3_aug-cc-pV5Z.dat
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cf2_CC3_aug-cc-pVDZ.dat
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cf2_CC3_aug-cc-pVQZ.dat
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cf2_CC3_aug-cc-pVTZ.dat
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cf2_CC3(Full)_aug-cc-pCVQZ.dat
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cf2_CCSD_aug-cc-pVTZ.dat
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cf2_CCSDR(3)_aug-cc-pVTZ.dat
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cf2_CCSDT_6-31+G(d).dat
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cf2_CCSDT_aug-cc-pVDZ.dat
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cf2_CCSDT_aug-cc-pVTZ.dat
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cf2_CCSDTQ_6-31+G(d).dat
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cf2_CCSDTQ_aug-cc-pVDZ.dat
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cf2_CIS(D)_aug-cc-pVTZ.dat
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cf2_EOM-MP2_aug-cc-pVTZ.dat
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cf2_FCI_aug-cc-pVDZ.dat
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cf2_FCI_aug-cc-pVTZ.dat
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cf2_SCS-CC2 [TM]_aug-cc-pVTZ.dat
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cf2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
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cf2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
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cf2_SOS-CC2 [TM]_aug-cc-pVTZ.dat
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cf2_STEOM-CCSD_aug-cc-pVTZ.dat
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cf2_TBE_aug-cc-pVTZ.dat
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cf2_TBE(Full)_CBS.dat
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ch3_RO-CC3_aug-cc-pVTZ.dat
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ch3_RO-CCSD_aug-cc-pVTZ.dat
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ch3_TBE_aug-cc-pVTZ.dat
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ch3_U-CC3_aug-cc-pVTZ.dat
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ch3_U-CCSD_aug-cc-pVTZ.dat
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ch_RO-CC3_aug-cc-pVTZ.dat
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ch_RO-CCSD_aug-cc-pVTZ.dat
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ch_TBE_aug-cc-pVTZ.dat
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ch_U-CC3_aug-cc-pVTZ.dat
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ch_U-CCSD_aug-cc-pVTZ.dat
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cn_RO-CC3_aug-cc-pVTZ.dat
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cn_RO-CCSD_aug-cc-pVTZ.dat
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cn_TBE_aug-cc-pVTZ.dat
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cn_U-CC3_aug-cc-pVTZ.dat
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cn_U-CCSD_aug-cc-pVTZ.dat
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cno_RO-CC3_aug-cc-pVTZ.dat
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cno_RO-CCSD_aug-cc-pVTZ.dat
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cno_TBE_aug-cc-pVTZ.dat
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cno_U-CC3_aug-cc-pVTZ.dat
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cno_U-CCSD_aug-cc-pVTZ.dat
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co+_RO-CC3_aug-cc-pVTZ.dat
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co+_RO-CCSD_aug-cc-pVTZ.dat
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co+_TBE_aug-cc-pVTZ.dat
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co+_U-CC3_aug-cc-pVTZ.dat
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co+_U-CCSD_aug-cc-pVTZ.dat
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cyanoacetylene_ADC(2)_aug-cc-pVTZ.dat
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cyanoacetylene_CC2_aug-cc-pVTZ.dat
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cyanoacetylene_CC3_6-31+G(d).dat
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cyanoacetylene_CC3_aug-cc-pV5Z.dat
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cyanoacetylene_CC3_aug-cc-pVDZ.dat
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cyanoacetylene_CC3_aug-cc-pVQZ.dat
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cyanoacetylene_CC3_aug-cc-pVTZ.dat
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cyanoacetylene_CC3_d-aug-cc-pVQZ.dat
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cyanoacetylene_CC3(Full)_aug-cc-pVQZ.dat
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cyanoacetylene_CC3(Full)_d-aug-cc-pVQZ.dat
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cyanoacetylene_CCSD_aug-cc-pVTZ.dat
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cyanoacetylene_CCSDR(3)_aug-cc-pVTZ.dat
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cyanoacetylene_CCSDT_6-31+G(d).dat
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cyanoacetylene_CCSDT_aug-cc-pVDZ.dat
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cyanoacetylene_CCSDT_aug-cc-pVTZ.dat
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cyanoacetylene_CCSDT-3_aug-cc-pVTZ.dat
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cyanoacetylene_CCSDTQ_6-31+G(d).dat
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cyanoacetylene_CCSDTQ_aug-cc-pVDZ.dat
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cyanoacetylene_CIS(D)_aug-cc-pVTZ.dat
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cyanoacetylene_exp.dat
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cyanoacetylene_FCI_6-31+G(d).dat
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cyanoacetylene_FCI_aug-cc-pVDZ.dat
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cyanoacetylene_NEVPT2_aug-cc-pVTZ.dat
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cyanoacetylene_STEOM-CCSD_aug-cc-pVTZ.dat
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cyanoacetylene_TBE_aug-cc-pVTZ.dat
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cyanoacetylene_TBE(Full)_CBS.dat
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cyanoformaldehyde_ADC(2)_aug-cc-pVTZ.dat
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cyanoformaldehyde_CC2_aug-cc-pVTZ.dat
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cyanoformaldehyde_CC3_6-31+G(d).dat
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cyanoformaldehyde_CC3_aug-cc-pVDZ.dat
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cyanoformaldehyde_CC3_aug-cc-pVTZ.dat
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cyanoformaldehyde_CC3_d-aug-cc-pVQZ.dat
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cyanoformaldehyde_CC3(Full)_aug-cc-pVQZ.dat
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cyanoformaldehyde_CCSD_aug-cc-pVTZ.dat
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cyanoformaldehyde_CCSDR(3)_aug-cc-pVTZ.dat
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cyanoformaldehyde_CCSDT_6-31+G(d).dat
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cyanoformaldehyde_CCSDT_aug-cc-pVDZ.dat
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cyanoformaldehyde_CCSDT_aug-cc-pVTZ.dat
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cyanoformaldehyde_CCSDT-3_aug-cc-pVTZ.dat
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cyanoformaldehyde_CIS(D)_aug-cc-pVTZ.dat
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cyanoformaldehyde_exp.dat
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cyanoformaldehyde_FCI_6-31+G(d).dat
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cyanoformaldehyde_NEVPT2_aug-cc-pVTZ.dat
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cyanoformaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat
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cyanoformaldehyde_TBE_aug-cc-pVTZ.dat
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cyanoformaldehyde_TBE(Full)_CBS.dat
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cyanogen_ADC(2)_aug-cc-pVTZ.dat
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cyanogen_CC2_aug-cc-pVTZ.dat
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cyanogen_CC3(Full)_d-aug-cc-pVQZ.dat
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cyanogen_CCSD_aug-cc-pVTZ.dat
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cyanogen_CCSDR(3)_aug-cc-pVTZ.dat
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cyanogen_CCSDT_aug-cc-pVDZ.dat
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cyanogen_CIS(D)_aug-cc-pVTZ.dat
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cyanogen_exp.dat
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cyanogen_FCI_6-31+G(d).dat
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cyanogen_STEOM-CCSD_aug-cc-pVTZ.dat
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cyanogen_TBE_aug-cc-pVTZ.dat
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cyanogen_TBE(Full)_CBS.dat
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cyclopentadiene_exp.dat
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cyclopentadiene_TBE(Full)_CBS.dat
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cyclopentadienethione_ADC(2.5)_aug-cc-pVTZ.dat
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cyclopentadienethione_ADC(2)_aug-cc-pVTZ.dat
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cyclopentadienethione_CCCSDT-3_aug-cc-pVTZ.dat
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cyclopentadienethione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
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cyclopentadienethione_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
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cyclopentadienethione_SOS-CC2_aug-cc-pVTZ.dat
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cyclopentadienethione_TBE_aug-cc-pVTZ.dat
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cyclopentadienone_ADC(2.5)_aug-cc-pVTZ.dat
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cyclopentadienone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
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cyclopentadienone_STEOM-CCSD_aug-cc-pVTZ.dat
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cyclopentadienone_TBE_aug-cc-pVTZ.dat
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cyclopropene_ADC(2.5)_aug-cc-pVTZ.dat
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cyclopropene_ADC(2)_aug-cc-pVTZ.dat
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cyclopropene_ADC(3)_aug-cc-pVTZ.dat
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cyclopropene_CC2_aug-cc-pVTZ.dat
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cyclopropene_CC3_6-31+G(d).dat
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cyclopropene_CIS(D)_aug-cc-pVTZ.dat
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cyclopropene_CIS(D∞)_aug-cc-pVTZ.dat
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cyclopropene_exp.dat
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cyclopropene_FCI_aug-cc-pVDZ.dat
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cyclopropene_FCI_aug-cc-pVTZ.dat
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cyclopropene_STEOM-CCSD_aug-cc-pVTZ.dat
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cyclopropene_TBE_aug-cc-pVTZ.dat
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cyclopropene_TBE(Full)_CBS.dat
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cyclopropenethione_ADC(2)_aug-cc-pVTZ.dat
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cyclopropenethione_CC2_aug-cc-pVTZ.dat
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cyclopropenethione_CC3_6-31+G(d).dat
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cyclopropenethione_CC3_aug-cc-pV5Z.dat
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cyclopropenethione_CC3_aug-cc-pVDZ.dat
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cyclopropenethione_CC3_aug-cc-pVQZ.dat
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cyclopropenethione_CC3_aug-cc-pVTZ.dat
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cyclopropenethione_CC3_d-aug-cc-pVQZ.dat
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cyclopropenethione_CC3(Full)_aug-cc-pVQZ.dat
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cyclopropenethione_CCSD_aug-cc-pVTZ.dat
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cyclopropenethione_CCSDR(3)_aug-cc-pVTZ.dat
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cyclopropenethione_CCSDT_6-31+G(d).dat
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cyclopropenethione_CCSDT_aug-cc-pVDZ.dat
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cyclopropenethione_CCSDT_aug-cc-pVTZ.dat
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cyclopropenethione_CCSDT-3_aug-cc-pVTZ.dat
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cyclopropenethione_CCSDTQ_6-31+G(d).dat
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cyclopropenethione_CIS(D)_aug-cc-pVTZ.dat
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cyclopropenethione_FCI_6-31+G(d).dat
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cyclopropenethione_NEVPT2_aug-cc-pVTZ.dat
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cyclopropenethione_STEOM-CCSD_aug-cc-pVTZ.dat
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cyclopropenethione_TBE_aug-cc-pVTZ.dat
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cyclopropenethione_TBE(Full)_CBS.dat
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cyclopropenone_ADC(2)_aug-cc-pVTZ.dat
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cyclopropenone_CC2_aug-cc-pVTZ.dat
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cyclopropenone_CC3_6-31+G(d).dat
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cyclopropenone_CC3_aug-cc-pV5Z.dat
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cyclopropenone_CC3_aug-cc-pVDZ.dat
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cyclopropenone_CC3_aug-cc-pVQZ.dat
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cyclopropenone_CC3_aug-cc-pVTZ.dat
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cyclopropenone_CC3_d-aug-cc-pVQZ.dat
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cyclopropenone_CC3(Full)_aug-cc-pVQZ.dat
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cyclopropenone_CCSD_aug-cc-pVTZ.dat
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cyclopropenone_CCSDR(3)_aug-cc-pVTZ.dat
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cyclopropenone_CCSDT_6-31+G(d).dat
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cyclopropenone_CCSDT_aug-cc-pVDZ.dat
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cyclopropenone_CCSDT_aug-cc-pVTZ.dat
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cyclopropenone_CCSDT-3_aug-cc-pVTZ.dat
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cyclopropenone_CCSDTQ_6-31+G(d).dat
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cyclopropenone_CIS(D)_aug-cc-pVTZ.dat
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cyclopropenone_exp.dat
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cyclopropenone_FCI_6-31+G(d).dat
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cyclopropenone_NEVPT2_aug-cc-pVTZ.dat
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cyclopropenone_STEOM-CCSD_aug-cc-pVTZ.dat
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cyclopropenone_TBE_aug-cc-pVTZ.dat
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cyclopropenone_TBE(Full)_CBS.dat
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diacetylene_ADC(2)_aug-cc-pVTZ.dat
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diacetylene_CC2_aug-cc-pVTZ.dat
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diacetylene_CC3(Full)_aug-cc-pVQZ.dat
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diacetylene_CCSD_aug-cc-pVTZ.dat
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diacetylene_CCSDR(3)_aug-cc-pVTZ.dat
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diacetylene_CCSDT_6-31+G(d).dat
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diacetylene_CCSDT_aug-cc-pVDZ.dat
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diacetylene_CCSDT-3_aug-cc-pVTZ.dat
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diacetylene_CCSDTQ_6-31+G(d).dat
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diacetylene_CCSDTQ_aug-cc-pVDZ.dat
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diacetylene_CIS(D)_aug-cc-pVTZ.dat
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diacetylene_exp.dat
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diacetylene_TBE_aug-cc-pVTZ.dat
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diacetylene_TBE(Full)_CBS.dat
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diazirine_ADC(2.5)_aug-cc-pVTZ.dat
Fix QUEST#5 data and update it
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diazirine_ADC(2)_aug-cc-pVTZ.dat
Fix QUEST#5 data and update it
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diazirine_ADC(3)_aug-cc-pVTZ.dat
Fix QUEST#5 data and update it
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diazirine_CC2_aug-cc-pVTZ.dat
Fix QUEST#5 data and update it
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diazirine_CC3_aug-cc-pVTZ.dat
Fix QUEST#5 data and update it
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diazirine_CCCSDT-3_aug-cc-pVTZ.dat
Fix QUEST#5 data and update it
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diazirine_CCSD_aug-cc-pVTZ.dat
Fix QUEST#5 data and update it
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diazirine_CCSD(2)_aug-cc-pVTZ.dat
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diazirine_CCSDR(3)_aug-cc-pVTZ.dat
Fix QUEST#5 data and update it
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diazirine_CIS(D)_aug-cc-pVTZ.dat
Fix QUEST#5 data and update it
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diazirine_SCS-CC2_aug-cc-pVTZ.dat
Fix QUEST#5 data and update it
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diazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
Fix QUEST#5 data and update it
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diazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
Fix QUEST#5 data and update it
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diazirine_SOS-CC2_aug-cc-pVTZ.dat
Fix QUEST#5 data and update it
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diazirine_STEOM-CCSD_aug-cc-pVTZ.dat
Fix QUEST#5 data and update it
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diazirine_TBE_aug-cc-pVTZ.dat
Fix QUEST#5 data and update it
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diazomethane_ADC(2.5)_aug-cc-pVTZ.dat
Add ADC(2.5) files
2020-09-14 11:30:57 +02:00
diazomethane_ADC(2)_aug-cc-pVTZ.dat
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diazomethane_ADC(3)_aug-cc-pVTZ.dat
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diazomethane_CC2_aug-cc-pVTZ.dat
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diazomethane_CC3_6-31+G(d).dat
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diazomethane_CC3_aug-cc-pVDZ.dat
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diazomethane_CC3_aug-cc-pVQZ.dat
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diazomethane_CC3_aug-cc-pVTZ.dat
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diazomethane_CC3(Full)_aug-cc-pVQZ.dat
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diazomethane_CC3(Full)_d-aug-cc-pVQZ.dat
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diazomethane_CCSD_aug-cc-pVTZ.dat
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diazomethane_CCSDR(3)_aug-cc-pVTZ.dat
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diazomethane_CCSDT_6-31+G(d).dat
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diazomethane_CCSDT_aug-cc-pVDZ.dat
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diazomethane_CCSDT_aug-cc-pVTZ.dat
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diazomethane_CCSDT-3_aug-cc-pVTZ.dat
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diazomethane_CIS(D)_aug-cc-pVTZ.dat
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diazomethane_CIS(D∞)_aug-cc-pVTZ.dat
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diazomethane_exp.dat
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diazomethane_FCI_aug-cc-pVDZ.dat
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diazomethane_FCI_aug-cc-pVTZ.dat
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diazomethane_STEOM-CCSD_aug-cc-pVTZ.dat
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diazomethane_TBE_aug-cc-pVTZ.dat
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diazomethane_TBE(Full)_CBS.dat
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difluorodiazirine_ADC(2.5)_aug-cc-pVTZ.dat
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difluorodiazirine_ADC(2)_aug-cc-pVTZ.dat
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difluorodiazirine_ADC(3)_aug-cc-pVTZ.dat
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difluorodiazirine_CC2_aug-cc-pVTZ.dat
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difluorodiazirine_CC3_6-31+G(d).dat
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difluorodiazirine_CC3_aug-cc-pVDZ.dat
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difluorodiazirine_CC3_aug-cc-pVQZ.dat
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difluorodiazirine_CC3_aug-cc-pVTZ.dat
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difluorodiazirine_CCSD_aug-cc-pVTZ.dat
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difluorodiazirine_CCSDR(3)_aug-cc-pVTZ.dat
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difluorodiazirine_CCSDT_6-31+G(d).dat
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difluorodiazirine_CCSDT_aug-cc-pVDZ.dat
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difluorodiazirine_CCSDT_aug-cc-pVTZ.dat
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difluorodiazirine_CCSDT-3_aug-cc-pVTZ.dat
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difluorodiazirine_CIS(D)_aug-cc-pVTZ.dat
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difluorodiazirine_EOM-MP2_aug-cc-pVTZ.dat
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difluorodiazirine_SCS-CC2 [TM]_aug-cc-pVTZ.dat
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difluorodiazirine_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
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difluorodiazirine_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
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difluorodiazirine_SOS-CC2 [TM]_aug-cc-pVTZ.dat
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difluorodiazirine_STEOM-CCSD_aug-cc-pVTZ.dat
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difluorodiazirine_TBE_aug-cc-pVTZ.dat
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difluorodiazirine_TBE(Full)_CBS.dat
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dinitrogen_ADC(2.5)_aug-cc-pVTZ.dat
Add ADC(2.5) files
2020-09-14 11:30:57 +02:00
dinitrogen_ADC(2)_aug-cc-pVTZ.dat
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dinitrogen_ADC(3)_aug-cc-pVTZ.dat
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dinitrogen_CC2_aug-cc-pVTZ.dat
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dinitrogen_CC3_6-31+G(d).dat
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dinitrogen_CC3_aug-cc-pVDZ.dat
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dinitrogen_CC3_aug-cc-pVQZ.dat
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dinitrogen_CC3_aug-cc-pVTZ.dat
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dinitrogen_CC3_d-aug-cc-pVQZ.dat
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dinitrogen_CC3_t-aug-cc-pVQZ.dat
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dinitrogen_CC3(Full)_aug-cc-pV5Z.dat
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dinitrogen_CC3(Full)_aug-cc-pVQZ.dat
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dinitrogen_CC3(Full)_d-aug-cc-pV5Z.dat
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dinitrogen_CC3(Full)_d-aug-cc-pVQZ.dat
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dinitrogen_CC3(Full)_t-aug-cc-pVQZ.dat
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dinitrogen_CCSD_aug-cc-pVTZ.dat
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dinitrogen_CCSDR(3)_aug-cc-pVTZ.dat
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dinitrogen_CCSDT_6-31+G(d).dat
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dinitrogen_CCSDT_aug-cc-pVDZ.dat
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dinitrogen_CCSDT_aug-cc-pVQZ.dat
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dinitrogen_CCSDT_aug-cc-pVTZ.dat
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dinitrogen_CCSDT-3_aug-cc-pVTZ.dat
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dinitrogen_CCSDTQ_6-31+G(d).dat
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dinitrogen_CCSDTQ_aug-cc-pVDZ.dat
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dinitrogen_CCSDTQ_aug-cc-pVTZ.dat
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dinitrogen_CCSDTQP_aug-cc-pVDZ.dat
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dinitrogen_CIS(D)_aug-cc-pVTZ.dat
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dinitrogen_CIS(D∞)_aug-cc-pVTZ.dat
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dinitrogen_exp.dat
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dinitrogen_FCI_aug-cc-pVDZ.dat
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dinitrogen_FCI_aug-cc-pVQZ.dat
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dinitrogen_FCI_aug-cc-pVTZ.dat
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dinitrogen_STEOM-CCSD_aug-cc-pVTZ.dat
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dinitrogen_TBE_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
dinitrogen_TBE(Full)_CBS.dat
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2020-09-09 17:47:35 +02:00
ethylene_ADC(2.5)_aug-cc-pVTZ.dat
Add ADC(2.5) files
2020-09-14 11:30:57 +02:00
ethylene_ADC(2)_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
ethylene_ADC(3)_aug-cc-pVTZ.dat
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ethylene_CASPT2_6-31+G(d)_double.dat
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ethylene_CASPT2_aug-cc-pVDZ_double.dat
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ethylene_CASPT2_aug-cc-pVQZ_double.dat
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ethylene_CASPT2_aug-cc-pVTZ_double.dat
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ethylene_CC2_aug-cc-pVTZ.dat
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ethylene_CC3_6-31+G(d)_double.dat
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ethylene_CC3_6-31+G(d).dat
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ethylene_CC3_aug-cc-pVDZ_double.dat
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ethylene_CC3_aug-cc-pVDZ.dat
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ethylene_CC3_aug-cc-pVQZ_double.dat
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ethylene_CC3_aug-cc-pVQZ.dat
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ethylene_CC3_aug-cc-pVTZ_double.dat
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ethylene_CC3_aug-cc-pVTZ.dat
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ethylene_CC3_d-aug-cc-pVQZ.dat
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ethylene_CC3(Full)_aug-cc-pV5Z.dat
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ethylene_CC3(Full)_aug-cc-pVQZ.dat
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ethylene_CC3(Full)_d-aug-cc-pV5Z.dat
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ethylene_CC3(Full)_d-aug-cc-pVQZ.dat
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ethylene_CCSD_aug-cc-pVTZ.dat
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ethylene_CCSDR(3)_aug-cc-pVTZ.dat
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ethylene_CCSDT_6-31+G(d)_double.dat
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ethylene_CCSDT_6-31+G(d).dat
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ethylene_CCSDT_aug-cc-pVDZ_double.dat
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ethylene_CCSDT_aug-cc-pVDZ.dat
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ethylene_CCSDT_aug-cc-pVTZ.dat
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ethylene_CCSDT-3_aug-cc-pVTZ.dat
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ethylene_CCSDTQ_6-31+G(d)_double.dat
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ethylene_CCSDTQ_6-31+G(d).dat
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ethylene_CCSDTQ_aug-cc-pVDZ_double.dat
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ethylene_CCSDTQ_aug-cc-pVDZ.dat
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ethylene_CCSDTQ_aug-cc-pVTZ.dat
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ethylene_CCSDTQP_6-31+G(d)_double.dat
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ethylene_CIS(D)_aug-cc-pVTZ.dat
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ethylene_CIS(D∞)_aug-cc-pVTZ.dat
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ethylene_exp.dat
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ethylene_FCI_6-31+G(d)_double.dat
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ethylene_FCI_aug-cc-pVDZ_double.dat
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ethylene_FCI_aug-cc-pVDZ.dat
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ethylene_FCI_aug-cc-pVTZ_double.dat
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ethylene_FCI_aug-cc-pVTZ.dat
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ethylene_MS-CASPT2_6-31+G(d)_double.dat
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ethylene_MS-CASPT2_aug-cc-pVDZ_double.dat
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ethylene_MS-CASPT2_aug-cc-pVQZ_double.dat
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ethylene_MS-CASPT2_aug-cc-pVTZ_double.dat
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ethylene_PC-NEVPT2_6-31+G(d)_double.dat
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ethylene_PC-NEVPT2_aug-cc-pVDZ_double.dat
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ethylene_PC-NEVPT2_aug-cc-pVQZ_double.dat
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ethylene_PC-NEVPT2_aug-cc-pVTZ_double.dat
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ethylene_SC-NEVPT2_6-31+G(d)_double.dat
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ethylene_SC-NEVPT2_aug-cc-pVDZ_double.dat
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ethylene_SC-NEVPT2_aug-cc-pVQZ_double.dat
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ethylene_SC-NEVPT2_aug-cc-pVTZ_double.dat
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ethylene_STEOM-CCSD_aug-cc-pVTZ.dat
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ethylene_TBE_aug-cc-pVTZ.dat
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ethylene_TBE_CBS_double.dat
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ethylene_TBE(Full)_CBS.dat
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ethylene_XMS-CASPT2_6-31+G(d)_double.dat
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ethylene_XMS-CASPT2_aug-cc-pVDZ_double.dat
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ethylene_XMS-CASPT2_aug-cc-pVQZ_double.dat
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ethylene_XMS-CASPT2_aug-cc-pVTZ_double.dat
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f2bo_RO-CC3_aug-cc-pVTZ.dat
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f2bo_RO-CCSD_aug-cc-pVTZ.dat
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f2bo_TBE_aug-cc-pVTZ.dat
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f2bo_U-CC3_aug-cc-pVTZ.dat
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f2bo_U-CCSD_aug-cc-pVTZ.dat
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f2bs_RO-CC3_aug-cc-pVTZ.dat
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f2bs_RO-CCSD_aug-cc-pVTZ.dat
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f2bs_TBE_aug-cc-pVTZ.dat
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f2bs_U-CC3_aug-cc-pVTZ.dat
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f2bs_U-CCSD_aug-cc-pVTZ.dat
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formaldehyde_ADC(2.5)_aug-cc-pVTZ.dat
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formaldehyde_ADC(2)_aug-cc-pVTZ.dat
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formaldehyde_ADC(3)_aug-cc-pVTZ.dat
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formaldehyde_CASPT2_6-31+G(d)_double.dat
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formaldehyde_CASPT2_aug-cc-pVDZ_double.dat
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formaldehyde_CASPT2_aug-cc-pVQZ_double.dat
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formaldehyde_CASPT2_aug-cc-pVTZ_double.dat
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formaldehyde_CC2_aug-cc-pVTZ.dat
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formaldehyde_CC3_6-31+G(d)_double.dat
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formaldehyde_CC3_6-31+G(d).dat
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formaldehyde_CC3_aug-cc-pVDZ_double.dat
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formaldehyde_CC3_aug-cc-pVDZ.dat
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formaldehyde_CC3_aug-cc-pVQZ_double.dat
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formaldehyde_CC3_aug-cc-pVQZ.dat
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formaldehyde_CC3_aug-cc-pVTZ_double.dat
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formaldehyde_CC3_aug-cc-pVTZ.dat
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formaldehyde_CC3_d-aug-cc-pVQZ.dat
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formaldehyde_CC3(Full)_aug-cc-pV5Z.dat
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formaldehyde_CC3(Full)_aug-cc-pVQZ.dat
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formaldehyde_CC3(Full)_d-aug-cc-pV5Z.dat
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hexatriene_ADC(2.5)_aug-cc-pVTZ.dat
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hps_TBE(Full)_CBS.dat
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hsif_CCSDT-3_aug-cc-pVTZ.dat
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hsif_CCSDTQ_6-31+G(d).dat
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hsif_CCSDTQ_aug-cc-pVDZ.dat
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hsif_CCSDTQP_6-31+G(d).dat
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hsif_CIS(D)_aug-cc-pVTZ.dat
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hsif_EOM-MP2_aug-cc-pVTZ.dat
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hsif_FCI_aug-cc-pVDZ.dat
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hsif_SCS-CC2 [TM]_aug-cc-pVTZ.dat
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hsif_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
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hsif_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
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hsif_SOS-CC2 [TM]_aug-cc-pVTZ.dat
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hsif_TBE_aug-cc-pVTZ.dat
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hsif_TBE(Full)_CBS.dat
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hydrogen_chloride_ADC(2.5)_aug-cc-pVTZ.dat
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hydrogen_chloride_CC2_aug-cc-pVTZ.dat
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hydrogen_chloride_CC3_6-31+G(d).dat
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hydrogen_chloride_CC3_aug-cc-pVDZ.dat
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hydrogen_chloride_CC3(Full)_aug-cc-pV5Z.dat
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hydrogen_chloride_CCSD_aug-cc-pVTZ.dat
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hydrogen_chloride_CCSDR(3)_aug-cc-pVTZ.dat
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hydrogen_chloride_CCSDT_6-31+G(d).dat
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hydrogen_chloride_CCSDT_aug-cc-pVDZ.dat
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hydrogen_chloride_CCSDT_aug-cc-pVQZ.dat
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hydrogen_chloride_CCSDTQ_6-31+G(d).dat
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hydrogen_chloride_CCSDTQ_aug-cc-pVDZ.dat
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hydrogen_chloride_CCSDTQ_aug-cc-pVTZ.dat
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hydrogen_chloride_CCSDTQP_aug-cc-pVDZ.dat
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hydrogen_chloride_CIS(D)_aug-cc-pVTZ.dat
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hydrogen_chloride_CIS(D∞)_aug-cc-pVTZ.dat
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hydrogen_chloride_FCI_aug-cc-pVDZ.dat
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hydrogen_chloride_FCI_aug-cc-pVQZ.dat
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hydrogen_chloride_FCI_aug-cc-pVTZ.dat
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hydrogen_chloride_STEOM-CCSD_aug-cc-pVTZ.dat
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hydrogen_chloride_TBE_aug-cc-pVTZ.dat
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hydrogen_chloride_TBE(Full)_CBS.dat
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hydrogen_sulfide_ADC(2.5)_aug-cc-pVTZ.dat
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hydrogen_sulfide_CC2_aug-cc-pVTZ.dat
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hydrogen_sulfide_CC3_6-31+G(d).dat
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hydrogen_sulfide_CC3_aug-cc-pVDZ.dat
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hydrogen_sulfide_CC3_aug-cc-pVTZ.dat
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hydrogen_sulfide_CC3_t-aug-cc-pVQZ.dat
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hydrogen_sulfide_CC3(Full)_aug-cc-pV5Z.dat
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hydrogen_sulfide_CCSD_aug-cc-pVTZ.dat
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hydrogen_sulfide_CCSDR(3)_aug-cc-pVTZ.dat
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hydrogen_sulfide_CCSDT_6-31+G(d).dat
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hydrogen_sulfide_CCSDT_aug-cc-pVDZ.dat
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hydrogen_sulfide_CCSDT_aug-cc-pVQZ.dat
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hydrogen_sulfide_CCSDT_aug-cc-pVTZ.dat
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hydrogen_sulfide_CCSDTQ_6-31+G(d).dat
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hydrogen_sulfide_CCSDTQ_aug-cc-pVDZ.dat
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hydrogen_sulfide_CCSDTQ_aug-cc-pVTZ.dat
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hydrogen_sulfide_CCSDTQP_aug-cc-pVDZ.dat
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hydrogen_sulfide_CIS(D)_aug-cc-pVTZ.dat
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hydrogen_sulfide_CIS(D∞)_aug-cc-pVTZ.dat
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hydrogen_sulfide_exp.dat
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hydrogen_sulfide_FCI_aug-cc-pVDZ.dat
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hydrogen_sulfide_FCI_aug-cc-pVTZ.dat
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hydrogen_sulfide_STEOM-CCSD_aug-cc-pVTZ.dat
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hydrogen_sulfide_TBE_aug-cc-pVTZ.dat
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hydrogen_sulfide_TBE(Full)_CBS.dat
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imidazole_ADC(2)_aug-cc-pVTZ.dat
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imidazole_CC2_aug-cc-pVTZ.dat
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imidazole_CC3_6-31+G(d).dat
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imidazole_CC3_aug-cc-pVDZ.dat
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imidazole_CC3_aug-cc-pVQZ.dat
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imidazole_CC3_aug-cc-pVTZ.dat
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imidazole_CCSD_aug-cc-pVTZ.dat
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imidazole_CCSDR(3)_aug-cc-pVTZ.dat
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imidazole_CCSDT_6-31+G(d).dat
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imidazole_CCSDT_aug-cc-pVDZ.dat
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imidazole_CCSDT-3_aug-cc-pVTZ.dat
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imidazole_CIS(D)_aug-cc-pVTZ.dat
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imidazole_exp.dat
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imidazole_NEVPT2_aug-cc-pVTZ.dat
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imidazole_STEOM-CCSD_aug-cc-pVTZ.dat
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imidazole_TBE_aug-cc-pVTZ.dat
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imidazole_TBE(Full)_CBS.dat
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isobutene_ADC(2)_aug-cc-pVTZ.dat
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isobutene_CC2_aug-cc-pVTZ.dat
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isobutene_CC3_6-31+G(d).dat
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isobutene_CC3_aug-cc-pVDZ.dat
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isobutene_CC3_aug-cc-pVQZ.dat
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isobutene_CC3_aug-cc-pVTZ.dat
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isobutene_CC3(Full)_aug-cc-pVQZ.dat
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isobutene_CCSD_aug-cc-pVTZ.dat
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isobutene_CCSDR(3)_aug-cc-pVTZ.dat
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isobutene_CCSDT_6-31+G(d).dat
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isobutene_CCSDT_aug-cc-pVDZ.dat
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isobutene_CCSDT_aug-cc-pVTZ.dat
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isobutene_CCSDT-3_aug-cc-pVTZ.dat
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isobutene_CIS(D)_aug-cc-pVTZ.dat
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isobutene_exp.dat
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isobutene_FCI_6-31+G(d).dat
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isobutene_NEVPT2_aug-cc-pVTZ.dat
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isobutene_STEOM-CCSD_aug-cc-pVTZ.dat
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isobutene_TBE_aug-cc-pVTZ.dat
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isobutene_TBE(Full)_CBS.dat
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ketene_ADC(2.5)_aug-cc-pVTZ.dat
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ketene_ADC(2)_aug-cc-pVTZ.dat
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ketene_ADC(3)_aug-cc-pVTZ.dat
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ketene_CC2_aug-cc-pVTZ.dat
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ketene_CC3_6-31+G(d).dat
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ketene_CC3_aug-cc-pVDZ.dat
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ketene_CC3_aug-cc-pVQZ.dat
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ketene_CC3_aug-cc-pVTZ.dat
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ketene_CC3(Full)_aug-cc-pVQZ.dat
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ketene_CC3(Full)_d-aug-cc-pVQZ.dat
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ketene_CCSD_aug-cc-pVTZ.dat
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ketene_CCSDR(3)_aug-cc-pVTZ.dat
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ketene_CCSDT_6-31+G(d).dat
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ketene_CCSDT_aug-cc-pVDZ.dat
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ketene_CCSDT_aug-cc-pVTZ.dat
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ketene_CCSDT-3_aug-cc-pVTZ.dat
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ketene_CIS(D)_aug-cc-pVTZ.dat
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ketene_CIS(D∞)_aug-cc-pVTZ.dat
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ketene_exp.dat
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ketene_FCI_aug-cc-pVDZ.dat
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ketene_FCI_aug-cc-pVTZ.dat
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ketene_STEOM-CCSD_aug-cc-pVTZ.dat
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ketene_TBE_aug-cc-pVTZ.dat
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ketene_TBE(Full)_CBS.dat
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maleimide_ADC(2.5)_aug-cc-pVTZ.dat
Fix QUEST#5 data and update it
2020-09-15 09:32:55 +02:00
maleimide_ADC(2)_aug-cc-pVTZ.dat
Add name to QUEST#5 article
2020-09-09 18:02:06 +02:00
maleimide_ADC(3)_aug-cc-pVTZ.dat
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maleimide_CC2_aug-cc-pVTZ.dat
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maleimide_CC3_aug-cc-pVTZ.dat
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maleimide_CCCSDT-3_aug-cc-pVTZ.dat
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maleimide_CCSD_aug-cc-pVTZ.dat
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maleimide_CCSD(2)_aug-cc-pVTZ.dat
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maleimide_CCSDR(3)_aug-cc-pVTZ.dat
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maleimide_CIS(D)_aug-cc-pVTZ.dat
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maleimide_SCS-CC2_aug-cc-pVTZ.dat
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2020-09-09 18:02:06 +02:00
maleimide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
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2020-09-09 18:02:06 +02:00
maleimide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
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maleimide_SOS-CC2_aug-cc-pVTZ.dat
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maleimide_STEOM-CCSD_aug-cc-pVTZ.dat
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2020-09-09 18:02:06 +02:00
maleimide_TBE_aug-cc-pVTZ.dat
Use TBE instead of TBE(FC) in QUEST#5 data
2020-09-09 18:19:27 +02:00
methanimine_ADC(2.5)_aug-cc-pVTZ.dat
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2020-09-14 11:30:57 +02:00
methanimine_ADC(2)_aug-cc-pVTZ.dat
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methanimine_ADC(3)_aug-cc-pVTZ.dat
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methanimine_CC2_aug-cc-pVTZ.dat
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methanimine_CC3_6-31+G(d).dat
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methanimine_CC3_aug-cc-pVDZ.dat
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methanimine_CC3_aug-cc-pVQZ.dat
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methanimine_CC3_aug-cc-pVTZ.dat
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methanimine_CC3_d-aug-cc-pVQZ.dat
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methanimine_CC3(Full)_aug-cc-pV5Z.dat
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methanimine_CC3(Full)_aug-cc-pVQZ.dat
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methanimine_CC3(Full)_d-aug-cc-pVQZ.dat
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methanimine_CCSD_aug-cc-pVTZ.dat
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methanimine_CCSDR(3)_aug-cc-pVTZ.dat
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methanimine_CCSDT_6-31+G(d).dat
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methanimine_CCSDT_aug-cc-pVDZ.dat
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methanimine_CCSDT_aug-cc-pVTZ.dat
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methanimine_CCSDT-3_aug-cc-pVTZ.dat
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methanimine_CCSDTQ_6-31+G(d).dat
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methanimine_CCSDTQ_aug-cc-pVDZ.dat
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methanimine_CCSDTQ_aug-cc-pVTZ.dat
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methanimine_CIS(D)_aug-cc-pVTZ.dat
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methanimine_CIS(D∞)_aug-cc-pVTZ.dat
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methanimine_FCI_aug-cc-pVDZ.dat
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methanimine_FCI_aug-cc-pVTZ.dat
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methanimine_STEOM-CCSD_aug-cc-pVTZ.dat
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methanimine_TBE_aug-cc-pVTZ.dat
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methanimine_TBE(Full)_CBS.dat
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methylenecyclopropene_ADC(2)_aug-cc-pVTZ.dat
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methylenecyclopropene_CC2_aug-cc-pVTZ.dat
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methylenecyclopropene_CC3_6-31+G(d).dat
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naphthalene_ADC(2.5)_aug-cc-pVTZ.dat
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nitroxyl_ADC(2.5)_aug-cc-pVTZ.dat
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pyrazine_CIS(D)_aug-cc-pVTZ.dat
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pyrazine_exp.dat
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pyrazine_NEVPT2_aug-cc-pVTZ.dat
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pyrazine_PC-NEVPT2_6-31+G(d)_double.dat
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pyrazine_PC-NEVPT2_aug-cc-pVDZ_double.dat
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pyrazine_PC-NEVPT2_aug-cc-pVTZ_double.dat
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pyrazine_SC-NEVPT2_6-31+G(d)_double.dat
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pyrazine_SC-NEVPT2_aug-cc-pVDZ_double.dat
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pyrazine_SC-NEVPT2_aug-cc-pVQZ_double.dat
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pyrazine_TBE_aug-cc-pVTZ.dat
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pyrazine_TBE_CBS_double.dat
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pyrazine_TBE(Full)_CBS.dat
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pyridazine_ADC(2)_aug-cc-pVTZ.dat
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pyridazine_CC2_aug-cc-pVTZ.dat
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pyridazine_CCSDT_aug-cc-pVDZ.dat
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pyridazine_CIS(D)_aug-cc-pVTZ.dat
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pyridazine_exp.dat
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pyridazine_NEVPT2_aug-cc-pVTZ.dat
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pyridazine_TBE(Full)_CBS.dat
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pyridine_CCSDT_aug-cc-pVDZ.dat
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pyridine_CIS(D)_aug-cc-pVTZ.dat
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pyridine_exp.dat
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pyridine_TBE_aug-cc-pVTZ.dat
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pyridine_TBE(Full)_CBS.dat
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pyrimidine_exp.dat
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pyrimidine_TBE_aug-cc-pVTZ.dat
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pyrimidine_TBE(Full)_CBS.dat
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pyrrole_ADC(2)_aug-cc-pVTZ.dat
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silylidene_TBE(Full)_CBS.dat
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streptocyanine-c1_ADC(2.5)_aug-cc-pVTZ.dat
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streptocyanine-c3_ADC(2.5)_aug-cc-pVTZ.dat
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streptocyanine-c3_ADC(2)_aug-cc-pVTZ.dat
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streptocyanine-c3_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
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streptocyanine-c3_SOS-CC2_aug-cc-pVTZ.dat
Add name to QUEST#5 article
2020-09-09 18:02:06 +02:00
streptocyanine-c3_STEOM-CCSD_aug-cc-pVTZ.dat
Add name to QUEST#5 article
2020-09-09 18:02:06 +02:00
streptocyanine-c3_TBE_aug-cc-pVTZ.dat
Use TBE instead of TBE(FC) in QUEST#5 data
2020-09-09 18:19:27 +02:00
streptocyanine-c5_ADC(2.5)_aug-cc-pVTZ.dat
Fix QUEST#5 data and update it
2020-09-15 09:32:55 +02:00
streptocyanine-c5_ADC(2)_aug-cc-pVTZ.dat
Add name to QUEST#5 article
2020-09-09 18:02:06 +02:00
streptocyanine-c5_ADC(3)_aug-cc-pVTZ.dat
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2020-09-09 18:02:06 +02:00
streptocyanine-c5_CC2_aug-cc-pVTZ.dat
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2020-09-09 18:02:06 +02:00
streptocyanine-c5_CC3_aug-cc-pVTZ.dat
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streptocyanine-c5_CCCSDT-3_aug-cc-pVTZ.dat
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2020-09-09 18:02:06 +02:00
streptocyanine-c5_CCSD_aug-cc-pVTZ.dat
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streptocyanine-c5_CCSD(2)_aug-cc-pVTZ.dat
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streptocyanine-c5_CCSDR(3)_aug-cc-pVTZ.dat
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streptocyanine-c5_CIS(D)_aug-cc-pVTZ.dat
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streptocyanine-c5_SCS-CC2_aug-cc-pVTZ.dat
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2020-09-09 18:02:06 +02:00
streptocyanine-c5_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
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2020-09-09 18:02:06 +02:00
streptocyanine-c5_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
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2020-09-09 18:02:06 +02:00
streptocyanine-c5_SOS-CC2_aug-cc-pVTZ.dat
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2020-09-09 18:02:06 +02:00
streptocyanine-c5_STEOM-CCSD_aug-cc-pVTZ.dat
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2020-09-09 18:02:06 +02:00
streptocyanine-c5_TBE_aug-cc-pVTZ.dat
Use TBE instead of TBE(FC) in QUEST#5 data
2020-09-09 18:19:27 +02:00
tetrazine_ADC(2)_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
tetrazine_CASPT2_6-31+G(d)_double.dat
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tetrazine_CASPT2_aug-cc-pVDZ_double.dat
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tetrazine_CASPT2_aug-cc-pVQZ_double.dat
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tetrazine_CASPT2_aug-cc-pVTZ_double.dat
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tetrazine_CC2_aug-cc-pVTZ.dat
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tetrazine_CC3_6-31+G(d)_double.dat
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tetrazine_CC3_6-31+G(d).dat
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tetrazine_CC3_aug-cc-pVDZ_double.dat
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tetrazine_CC3_aug-cc-pVDZ.dat
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tetrazine_CC3_aug-cc-pVQZ_double.dat
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tetrazine_CC3_aug-cc-pVQZ.dat
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tetrazine_CC3_aug-cc-pVTZ_double.dat
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tetrazine_CC3_aug-cc-pVTZ.dat
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tetrazine_CC3(Full)_aug-cc-pVQZ.dat
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tetrazine_CCSD_aug-cc-pVTZ.dat
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tetrazine_CCSDR(3)_aug-cc-pVTZ.dat
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tetrazine_CCSDT_6-31+G(d)_double.dat
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tetrazine_CCSDT_6-31+G(d).dat
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tetrazine_CCSDT_aug-cc-pVDZ_double.dat
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tetrazine_CCSDT_aug-cc-pVDZ.dat
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tetrazine_CCSDT_aug-cc-pVTZ.dat
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tetrazine_CCSDT-3_aug-cc-pVTZ.dat
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tetrazine_CIS(D)_aug-cc-pVTZ.dat
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tetrazine_exp.dat
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tetrazine_NEVPT2_aug-cc-pVTZ.dat
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tetrazine_PC-NEVPT2_6-31+G(d)_double.dat
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tetrazine_PC-NEVPT2_aug-cc-pVDZ_double.dat
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tetrazine_PC-NEVPT2_aug-cc-pVQZ_double.dat
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tetrazine_PC-NEVPT2_aug-cc-pVTZ_double.dat
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tetrazine_SC-NEVPT2_6-31+G(d)_double.dat
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tetrazine_SC-NEVPT2_aug-cc-pVDZ_double.dat
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tetrazine_SC-NEVPT2_aug-cc-pVQZ_double.dat
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tetrazine_SC-NEVPT2_aug-cc-pVTZ_double.dat
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tetrazine_STEOM-CCSD_aug-cc-pVTZ.dat
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tetrazine_TBE_aug-cc-pVTZ.dat
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tetrazine_TBE_CBS_double.dat
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tetrazine_TBE(Full)_CBS.dat
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thioacetone_ADC(2)_aug-cc-pVTZ.dat
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thioacetone_CC2_aug-cc-pVTZ.dat
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thioacetone_CC3_6-31+G(d).dat
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thioacetone_CC3_aug-cc-pVDZ.dat
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thioacetone_CC3_aug-cc-pVQZ.dat
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thioacetone_CC3_aug-cc-pVTZ.dat
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thioacetone_CC3(Full)_aug-cc-pVQZ.dat
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thioacetone_CCSD_aug-cc-pVTZ.dat
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thioacetone_CCSDR(3)_aug-cc-pVTZ.dat
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thioacetone_CCSDT_6-31+G(d).dat
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thioacetone_CCSDT_aug-cc-pVDZ.dat
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thioacetone_CCSDT_aug-cc-pVTZ.dat
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thioacetone_CCSDT-3_aug-cc-pVTZ.dat
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thioacetone_CCSDTQ_6-31+G(d).dat
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thioacetone_CIS(D)_aug-cc-pVTZ.dat
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thioacetone_exp.dat
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thioacetone_FCI_6-31+G(d).dat
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thioacetone_NEVPT2_aug-cc-pVTZ.dat
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thioacetone_STEOM-CCSD_aug-cc-pVTZ.dat
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thioacetone_TBE_aug-cc-pVTZ.dat
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thioacetone_TBE(Full)_CBS.dat
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thioacrolein_ADC(2.5)_aug-cc-pVTZ.dat
Fix QUEST#5 data and update it
2020-09-15 09:32:55 +02:00
thioacrolein_ADC(2)_aug-cc-pVTZ.dat
Add name to QUEST#5 article
2020-09-09 18:02:06 +02:00
thioacrolein_ADC(3)_aug-cc-pVTZ.dat
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thioacrolein_CC2_aug-cc-pVTZ.dat
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thioacrolein_CC3_aug-cc-pVTZ.dat
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thioacrolein_CCCSDT-3_aug-cc-pVTZ.dat
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2020-09-09 18:02:06 +02:00
thioacrolein_CCSD_aug-cc-pVTZ.dat
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thioacrolein_CCSD(2)_aug-cc-pVTZ.dat
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thioacrolein_CCSDR(3)_aug-cc-pVTZ.dat
Add name to QUEST#5 article
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thioacrolein_CIS(D)_aug-cc-pVTZ.dat
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thioacrolein_SCS-CC2_aug-cc-pVTZ.dat
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2020-09-09 18:02:06 +02:00
thioacrolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
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2020-09-09 18:02:06 +02:00
thioacrolein_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
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2020-09-09 18:02:06 +02:00
thioacrolein_SOS-CC2_aug-cc-pVTZ.dat
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2020-09-09 18:02:06 +02:00
thioacrolein_STEOM-CCSD_aug-cc-pVTZ.dat
Add name to QUEST#5 article
2020-09-09 18:02:06 +02:00
thioacrolein_TBE_aug-cc-pVTZ.dat
Use TBE instead of TBE(FC) in QUEST#5 data
2020-09-09 18:19:27 +02:00
thioformaldehyde_ADC(2.5)_aug-cc-pVTZ.dat
Add ADC(2.5) files
2020-09-14 11:30:57 +02:00
thioformaldehyde_ADC(2)_aug-cc-pVTZ.dat
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thioformaldehyde_ADC(3)_aug-cc-pVTZ.dat
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thioformaldehyde_CC2_aug-cc-pVTZ.dat
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thioformaldehyde_CC3_6-31+G(d).dat
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thioformaldehyde_CC3_aug-cc-pVDZ.dat
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thioformaldehyde_CC3_aug-cc-pVQZ.dat
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thioformaldehyde_CC3_aug-cc-pVTZ.dat
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thioformaldehyde_CC3_d-aug-cc-pVQZ.dat
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thioformaldehyde_CC3(Full)_aug-cc-pV5Z.dat
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thioformaldehyde_CC3(Full)_aug-cc-pVQZ.dat
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thioformaldehyde_CC3(Full)_d-aug-cc-pVQZ.dat
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thioformaldehyde_CCSD_aug-cc-pVTZ.dat
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thioformaldehyde_CCSDR(3)_aug-cc-pVTZ.dat
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thioformaldehyde_CCSDT_6-31+G(d).dat
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thioformaldehyde_CCSDT_aug-cc-pVDZ.dat
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thioformaldehyde_CCSDT_aug-cc-pVTZ.dat
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thioformaldehyde_CCSDT-3_aug-cc-pVTZ.dat
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thioformaldehyde_CCSDTQ_6-31+G(d).dat
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thioformaldehyde_CCSDTQ_aug-cc-pVDZ.dat
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thioformaldehyde_CCSDTQ_aug-cc-pVTZ.dat
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thioformaldehyde_CIS(D)_aug-cc-pVTZ.dat
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thioformaldehyde_CIS(D∞)_aug-cc-pVTZ.dat
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thioformaldehyde_exp.dat
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thioformaldehyde_FCI_aug-cc-pVDZ.dat
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thioformaldehyde_FCI_aug-cc-pVTZ.dat
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thioformaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat
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thioformaldehyde_TBE_aug-cc-pVTZ.dat
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thioformaldehyde_TBE(Full)_CBS.dat
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thiophene_ADC(2)_aug-cc-pVTZ.dat
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thiophene_CC2_aug-cc-pVTZ.dat
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thiophene_CC3_6-31+G(d).dat
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thiophene_CC3_aug-cc-pVDZ.dat
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thiophene_CC3_aug-cc-pVQZ.dat
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thiophene_CC3_aug-cc-pVTZ.dat
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thiophene_CCSD_aug-cc-pVTZ.dat
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thiophene_CCSDR(3)_aug-cc-pVTZ.dat
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thiophene_CCSDT_6-31+G(d).dat
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thiophene_CCSDT_aug-cc-pVDZ.dat
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thiophene_CCSDT_aug-cc-pVTZ.dat
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thiophene_CCSDT-3_aug-cc-pVTZ.dat
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thiophene_CIS(D)_aug-cc-pVTZ.dat
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thiophene_exp.dat
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thiophene_NEVPT2_aug-cc-pVTZ.dat
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thiophene_STEOM-CCSD_aug-cc-pVTZ.dat
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thiophene_TBE_aug-cc-pVTZ.dat
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thiophene_TBE(Full)_CBS.dat
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thiopropynal_ADC(2)_aug-cc-pVTZ.dat
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thiopropynal_CC2_aug-cc-pVTZ.dat
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thiopropynal_CC3_6-31+G(d).dat
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thiopropynal_CC3_aug-cc-pVDZ.dat
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thiopropynal_CC3_aug-cc-pVQZ.dat
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thiopropynal_CC3_aug-cc-pVTZ.dat
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thiopropynal_CC3(Full)_aug-cc-pVQZ.dat
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thiopropynal_CCSD_aug-cc-pVTZ.dat
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thiopropynal_CCSDR(3)_aug-cc-pVTZ.dat
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thiopropynal_CCSDT_6-31+G(d).dat
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thiopropynal_CCSDT_aug-cc-pVDZ.dat
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thiopropynal_CCSDT_aug-cc-pVTZ.dat
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thiopropynal_CCSDT-3_aug-cc-pVTZ.dat
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thiopropynal_CIS(D)_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
thiopropynal_exp.dat
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2020-09-09 17:47:35 +02:00
thiopropynal_FCI_6-31+G(d).dat
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thiopropynal_NEVPT2_aug-cc-pVTZ.dat
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thiopropynal_STEOM-CCSD_aug-cc-pVTZ.dat
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thiopropynal_TBE_aug-cc-pVTZ.dat
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thiopropynal_TBE(Full)_CBS.dat
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2020-09-09 17:47:35 +02:00
triazine_ADC(2)_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
triazine_CC2_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
triazine_CC3_6-31+G(d).dat
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triazine_CC3_aug-cc-pVDZ.dat
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2020-09-09 17:47:35 +02:00
triazine_CC3_aug-cc-pVQZ.dat
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triazine_CC3_aug-cc-pVTZ.dat
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triazine_CCSD_aug-cc-pVTZ.dat
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triazine_CCSDR(3)_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
triazine_CCSDT_6-31+G(d).dat
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triazine_CCSDT_aug-cc-pVDZ.dat
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triazine_CCSDT_aug-cc-pVTZ.dat
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triazine_CCSDT-3_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
triazine_CIS(D)_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
triazine_exp.dat
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2020-09-09 17:47:35 +02:00
triazine_NEVPT2_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
triazine_STEOM-CCSD_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
triazine_TBE_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
triazine_TBE(Full)_CBS.dat
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2020-09-09 17:47:35 +02:00
vinyl_RO-CC3_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
vinyl_RO-CCSD_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
vinyl_TBE_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
vinyl_U-CC3_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
vinyl_U-CCSD_aug-cc-pVTZ.dat
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2020-09-09 17:47:35 +02:00
water_ADC(2.5)_aug-cc-pVTZ.dat
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2020-09-14 11:30:57 +02:00
water_ADC(2)_aug-cc-pVTZ.dat
Article without DOI support
2020-09-09 17:47:35 +02:00
water_ADC(3)_aug-cc-pVTZ.dat
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water_CC2_aug-cc-pVTZ.dat
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water_CC3_6-31+G(d).dat
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water_CC3_aug-cc-pVDZ.dat
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water_CC3_aug-cc-pVQZ.dat
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water_CC3_aug-cc-pVTZ.dat
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water_CC3_d-aug-cc-pVQZ.dat
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water_CC3_d-aug-cc-pVTZ.dat
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water_CC3_t-aug-cc-pVQZ.dat
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water_CC3(Full)_aug-cc-pV5Z.dat
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water_CC3(Full)_aug-cc-pVQZ.dat
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water_CC3(Full)_d-aug-cc-pV5Z.dat
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water_CC3(Full)_d-aug-cc-pVQZ.dat
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water_CC3(Full)_t-aug-cc-pVQZ.dat
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water_CCSD_aug-cc-pVTZ.dat
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water_CCSDR(3)_aug-cc-pVTZ.dat
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water_CCSDT_6-31+G(d).dat
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water_CCSDT_aug-cc-pVDZ.dat
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water_CCSDT_aug-cc-pVQZ.dat
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water_CCSDT_aug-cc-pVTZ.dat
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water_CCSDT-3_aug-cc-pVTZ.dat
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water_CCSDTQ_6-31+G(d).dat
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water_CCSDTQ_aug-cc-pVDZ.dat
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water_CCSDTQ_aug-cc-pVTZ.dat
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water_CCSDTQP_aug-cc-pVDZ.dat
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water_CIS(D)_aug-cc-pVTZ.dat
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water_CIS(D∞)_aug-cc-pVTZ.dat
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water_exp.dat
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water_FCI_aug-cc-pVDZ.dat
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water_FCI_aug-cc-pVQZ.dat
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water_FCI_aug-cc-pVTZ.dat
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water_STEOM-CCSD_aug-cc-pVTZ.dat
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water_TBE_aug-cc-pVTZ.dat
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water_TBE(Full)_CBS.dat
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