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QUESTDB_website/static/data/fluo
History
Mickaël Véril ba68dc7b5c Fix symmetry
2021-11-03 13:29:12 +01:00
..
acetylene_ADC(2.5)_aug-cc-pVTZ_addon.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
acetylene_ADC(2.5)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
acetylene_ADC(2)_aug-cc-pVTZ_addon.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
acetylene_ADC(2)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
acetylene_ADC(3)_aug-cc-pVTZ_addon.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
acetylene_ADC(3)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
acetylene_CC2_aug-cc-pVTZ_addon.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
acetylene_CC2_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
acetylene_CC3_6-31+G(d).dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
acetylene_CC3_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
acetylene_CC3_aug-cc-pVQZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
acetylene_CC3_aug-cc-pVTZ_addon.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
acetylene_CC3_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
acetylene_CC3_d-aug-cc-pVQZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
acetylene_CC3(Full)_aug-cc-pV5Z.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
acetylene_CC3(Full)_aug-cc-pVQZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
acetylene_CC3(Full)_d-aug-cc-pV5Z.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
acetylene_CC3(Full)_d-aug-cc-pVQZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
acetylene_CCSD_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
acetylene_CCSD(T)(a)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
acetylene_CCSDR(3)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
acetylene_CCSDT_6-31+G(d).dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
acetylene_CCSDT_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
acetylene_CCSDT_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
acetylene_CCSDT-3_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
acetylene_CCSDTQ_6-31+G(d).dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
acetylene_CCSDTQ_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
acetylene_CIS(D)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
acetylene_CIS(D∞)_aug-cc-pVTZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
acetylene_EOM-MP2_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
acetylene_FCI_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
acetylene_SCS-CC2_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
acetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
acetylene_SOS-CC2_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
acetylene_STEOM-CCSD_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
acetylene_TBE_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
acetylene_TBE(Full)_CBS.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
cyanoacetylene_ADC(2.5)_aug-cc-pVTZ_addon.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
cyanoacetylene_ADC(2)_aug-cc-pVTZ_addon.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
cyanoacetylene_ADC(2)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
cyanoacetylene_ADC(3)_aug-cc-pVTZ_addon.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
cyanoacetylene_CC2_aug-cc-pVTZ_addon.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
cyanoacetylene_CC2_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
cyanoacetylene_CC3_6-31+G(d).dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
cyanoacetylene_CC3_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
cyanoacetylene_CC3_aug-cc-pVQZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
cyanoacetylene_CC3_aug-cc-pVTZ_addon.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
cyanoacetylene_CC3_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
cyanoacetylene_CC3(Full)_aug-cc-pVQZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
cyanoacetylene_CCSD_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
cyanoacetylene_CCSD(T)(a)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
cyanoacetylene_CCSDR(3)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
cyanoacetylene_CCSDT_6-31+G(d).dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
cyanoacetylene_CCSDT_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
cyanoacetylene_CCSDT_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
cyanoacetylene_CCSDT-3_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
cyanoacetylene_CCSDTQ_6-31+G(d).dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
cyanoacetylene_CCSDTQ_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
cyanoacetylene_CIS(D)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
cyanoacetylene_EOM-MP2_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
cyanoacetylene_FCI_6-31+G(d).dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
cyanoacetylene_FCI_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
cyanoacetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
cyanoacetylene_STEOM-CCSD_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
cyanoacetylene_TBE_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
cyanoacetylene_TBE(Full)_CBS.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
cyanogen_ADC(2.5)_aug-cc-pVTZ_addon.dat
Update data except QUEST#2
2021-11-03 13:29:12 +01:00
cyanogen_ADC(2)_aug-cc-pVTZ_addon.dat
Update data except QUEST#2
2021-11-03 13:29:12 +01:00
cyanogen_ADC(2)_aug-cc-pVTZ.dat
Update data except QUEST#2
2021-11-03 13:29:12 +01:00
cyanogen_ADC(3)_aug-cc-pVTZ_addon.dat
Update data except QUEST#2
2021-11-03 13:29:12 +01:00
cyanogen_CC2_aug-cc-pVTZ_addon.dat
Update data except QUEST#2
2021-11-03 13:29:12 +01:00
cyanogen_CC2_aug-cc-pVTZ.dat
Update data except QUEST#2
2021-11-03 13:29:12 +01:00
cyanogen_CC3_6-31+G(d).dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
cyanogen_CC3_aug-cc-pV5Z.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
cyanogen_CC3_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
cyanogen_CC3_aug-cc-pVQZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
cyanogen_CC3_aug-cc-pVTZ_addon.dat
Update data except QUEST#2
2021-11-03 13:29:12 +01:00
cyanogen_CC3_aug-cc-pVTZ.dat
Update data except QUEST#2
2021-11-03 13:29:12 +01:00
cyanogen_CC3_d-aug-cc-pVQZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
cyanogen_CC3(Full)_aug-cc-pVQZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
cyanogen_CC3(Full)_d-aug-cc-pVQZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
cyanogen_CCSD_aug-cc-pVTZ.dat
Update data except QUEST#2
2021-11-03 13:29:12 +01:00
cyanogen_CCSD(T)(a)_aug-cc-pVTZ.dat
Update data except QUEST#2
2021-11-03 13:29:12 +01:00
cyanogen_CCSDR(3)_aug-cc-pVTZ.dat
Update data except QUEST#2
2021-11-03 13:29:12 +01:00
cyanogen_CCSDT_6-31+G(d).dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
cyanogen_CCSDT_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
cyanogen_CCSDT_aug-cc-pVTZ.dat
Update data except QUEST#2
2021-11-03 13:29:12 +01:00
cyanogen_CCSDT-3_aug-cc-pVTZ.dat
Update data except QUEST#2
2021-11-03 13:29:12 +01:00
cyanogen_CCSDTQ_6-31+G(d).dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
cyanogen_CCSDTQ_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
cyanogen_CIS(D)_aug-cc-pVTZ.dat
Update data except QUEST#2
2021-11-03 13:29:12 +01:00
cyanogen_EOM-MP2_aug-cc-pVTZ.dat
Fix data for new methods
2020-11-09 10:53:26 +01:00
cyanogen_FCI_6-31+G(d).dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
cyanogen_FCI_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
cyanogen_SCS-CC2_aug-cc-pVTZ.dat
Add missing geometry metadata
2020-10-27 17:26:26 +01:00
cyanogen_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
Some fixes and update on data
2021-11-03 13:29:12 +01:00
cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
Add missing geometry metadata
2020-10-27 17:26:26 +01:00
cyanogen_SOS-CC2_aug-cc-pVTZ.dat
Add missing geometry metadata
2020-10-27 17:26:26 +01:00
cyanogen_STEOM-CCSD_aug-cc-pVTZ.dat
Update data except QUEST#2
2021-11-03 13:29:12 +01:00
cyanogen_TBE_aug-cc-pVTZ.dat
Update data except QUEST#2
2021-11-03 13:29:12 +01:00
cyanogen_TBE(Full)_CBS.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
diazomethane_ADC(2.5)_aug-cc-pVTZ_addon.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
diazomethane_ADC(2.5)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
diazomethane_ADC(2)_aug-cc-pVTZ_addon.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
diazomethane_ADC(2)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
diazomethane_ADC(3)_aug-cc-pVTZ_addon.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
diazomethane_ADC(3)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
diazomethane_CC2_aug-cc-pVTZ_addon.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
diazomethane_CC2_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
diazomethane_CC3_6-31+G(d).dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
diazomethane_CC3_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
diazomethane_CC3_aug-cc-pVQZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
diazomethane_CC3_aug-cc-pVTZ_addon.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
diazomethane_CC3_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
diazomethane_CC3(Full)_aug-cc-pVQZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
diazomethane_CC3(Full)_d-aug-cc-pVQZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
diazomethane_CCSD_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
diazomethane_CCSD(T)(a)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
diazomethane_CCSDR(3)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
diazomethane_CCSDT_6-31+G(d).dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
diazomethane_CCSDT_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
diazomethane_CCSDT_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
diazomethane_CCSDT-3_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
diazomethane_CIS(D)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
diazomethane_CIS(D∞)_aug-cc-pVTZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
diazomethane_EOM-MP2_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
diazomethane_FCI_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
diazomethane_SCS-CC2_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
diazomethane_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
diazomethane_SOS-CC2_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
diazomethane_STEOM-CCSD_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
diazomethane_TBE_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
diazomethane_TBE(Full)_CBS.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
formaldehyde_ADC(2.5)_aug-cc-pVTZ_addon.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
formaldehyde_ADC(2.5)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
formaldehyde_ADC(2)_aug-cc-pVTZ_addon.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
formaldehyde_ADC(2)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
formaldehyde_ADC(3)_aug-cc-pVTZ_addon.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
formaldehyde_ADC(3)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
formaldehyde_CC2_aug-cc-pVTZ_addon.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
formaldehyde_CC2_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
formaldehyde_CC3_6-31+G(d).dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
formaldehyde_CC3_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
formaldehyde_CC3_aug-cc-pVQZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
formaldehyde_CC3_aug-cc-pVTZ_addon.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
formaldehyde_CC3_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
formaldehyde_CC3_d-aug-cc-pVQZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
formaldehyde_CC3(Full)_aug-cc-pV5Z.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
formaldehyde_CC3(Full)_aug-cc-pVQZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
formaldehyde_CC3(Full)_d-aug-cc-pV5Z.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
formaldehyde_CC3(Full)_d-aug-cc-pVQZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
formaldehyde_CCSD_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
formaldehyde_CCSD(T)(a)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
formaldehyde_CCSDR(3)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
formaldehyde_CCSDT_6-31+G(d).dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
formaldehyde_CCSDT_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
formaldehyde_CCSDT_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
formaldehyde_CCSDT-3_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
formaldehyde_CCSDTQ_6-31+G(d).dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
formaldehyde_CCSDTQ_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
formaldehyde_CIS(D)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
formaldehyde_EOM-MP2_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
formaldehyde_FCI_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
formaldehyde_SCS-CC2_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
formaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
formaldehyde_SOS-CC2_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
formaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
formaldehyde_TBE_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
formaldehyde_TBE(Full)_CBS.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
ketene_ADC(2.5)_aug-cc-pVTZ_addon.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
ketene_ADC(2.5)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
ketene_ADC(2)_aug-cc-pVTZ_addon.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
ketene_ADC(2)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
ketene_ADC(3)_aug-cc-pVTZ_addon.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
ketene_ADC(3)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
ketene_CC2_aug-cc-pVTZ_addon.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
ketene_CC2_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
ketene_CC3_6-31+G(d).dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
ketene_CC3_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
ketene_CC3_aug-cc-pVQZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
ketene_CC3_aug-cc-pVTZ_addon.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
ketene_CC3_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
ketene_CC3(Full)_aug-cc-pVQZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
ketene_CC3(Full)_d-aug-cc-pVQZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
ketene_CCSD_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
ketene_CCSD(T)(a)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
ketene_CCSDR(3)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
ketene_CCSDT_6-31+G(d).dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
ketene_CCSDT_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
ketene_CCSDT_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
ketene_CCSDT-3_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
ketene_CIS(D)_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
ketene_EOM-MP2_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
ketene_FCI_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
ketene_SCS-CC2_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
ketene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
ketene_SOS-CC2_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
ketene_STEOM-CCSD_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
ketene_TBE_aug-cc-pVTZ.dat
Fix symmetry
2021-11-03 13:29:12 +01:00
ketene_TBE(Full)_CBS.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
nitrosomethane_ADC(2.5)_aug-cc-pVTZ_addon.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
nitrosomethane_ADC(2.5)_aug-cc-pVTZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
nitrosomethane_ADC(2)_aug-cc-pVTZ_addon.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
nitrosomethane_ADC(2)_aug-cc-pVTZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
nitrosomethane_ADC(3)_aug-cc-pVTZ_addon.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
nitrosomethane_ADC(3)_aug-cc-pVTZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
nitrosomethane_CC2_aug-cc-pVTZ_addon.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
nitrosomethane_CC2_aug-cc-pVTZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
nitrosomethane_CC3_6-31+G(d).dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
nitrosomethane_CC3_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
nitrosomethane_CC3_aug-cc-pVQZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
nitrosomethane_CC3_aug-cc-pVTZ_addon.dat
Update data except QUEST#2
2021-11-03 13:29:12 +01:00
nitrosomethane_CC3_aug-cc-pVTZ.dat
Update data except QUEST#2
2021-11-03 13:29:12 +01:00
nitrosomethane_CC3(Full)_aug-cc-pVQZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
nitrosomethane_CCSD_aug-cc-pVTZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
nitrosomethane_CCSD(T)(a)_aug-cc-pVTZ.dat
Update data except QUEST#2
2021-11-03 13:29:12 +01:00
nitrosomethane_CCSDR(3)_aug-cc-pVTZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
nitrosomethane_CCSDT_6-31+G(d).dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
nitrosomethane_CCSDT_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
nitrosomethane_CCSDT_aug-cc-pVTZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
nitrosomethane_CCSDT-3_aug-cc-pVTZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
nitrosomethane_CIS(D)_aug-cc-pVTZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
nitrosomethane_EOM-MP2_aug-cc-pVTZ.dat
Fix data for new methods
2020-11-09 10:53:26 +01:00
nitrosomethane_FCI_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat
Add missing geometry metadata
2020-10-27 17:26:26 +01:00
nitrosomethane_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
Some fixes and update on data
2021-11-03 13:29:12 +01:00
nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
Add missing geometry metadata
2020-10-27 17:26:26 +01:00
nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat
Add missing geometry metadata
2020-10-27 17:26:26 +01:00
nitrosomethane_STEOM-CCSD_aug-cc-pVTZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
nitrosomethane_TBE_aug-cc-pVTZ.dat
Update data except QUEST#2
2021-11-03 13:29:12 +01:00
nitrosomethane_TBE(Full)_CBS.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_ADC(2.5)_aug-cc-pVTZ_addon.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_ADC(2.5)_aug-cc-pVTZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_ADC(2)_aug-cc-pVTZ_addon.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_ADC(2)_aug-cc-pVTZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_ADC(3)_aug-cc-pVTZ_addon.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_ADC(3)_aug-cc-pVTZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_CC2_aug-cc-pVTZ_addon.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_CC2_aug-cc-pVTZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_CC3_6-31+G(d).dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_CC3_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_CC3_aug-cc-pVQZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_CC3_aug-cc-pVTZ_addon.dat
Update data except QUEST#2
2021-11-03 13:29:12 +01:00
thioformaldehyde_CC3_aug-cc-pVTZ.dat
Update data except QUEST#2
2021-11-03 13:29:12 +01:00
thioformaldehyde_CC3_d-aug-cc-pVQZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_CC3(Full)_aug-cc-pV5Z.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_CC3(Full)_aug-cc-pVQZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_CC3(Full)_d-aug-cc-pVQZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_CCSD_aug-cc-pVTZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_CCSD(T)(a)_aug-cc-pVTZ.dat
Update data except QUEST#2
2021-11-03 13:29:12 +01:00
thioformaldehyde_CCSDR(3)_aug-cc-pVTZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_CCSDT_6-31+G(d).dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_CCSDT_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_CCSDT_aug-cc-pVTZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_CCSDT-3_aug-cc-pVTZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_CCSDTQ_6-31+G(d).dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_CCSDTQ_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_CIS(D)_aug-cc-pVTZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_CIS(D∞)_aug-cc-pVTZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_EOM-MP2_aug-cc-pVTZ.dat
Fix data for new methods
2020-11-09 10:53:26 +01:00
thioformaldehyde_FCI_aug-cc-pVDZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat
Add missing geometry metadata
2020-10-27 17:26:26 +01:00
thioformaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
Some fixes and update on data
2021-11-03 13:29:12 +01:00
thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
Add missing geometry metadata
2020-10-27 17:26:26 +01:00
thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat
Add missing geometry metadata
2020-10-27 17:26:26 +01:00
thioformaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00
thioformaldehyde_TBE_aug-cc-pVTZ.dat
Update data except QUEST#2
2021-11-03 13:29:12 +01:00
thioformaldehyde_TBE(Full)_CBS.dat
Fix Oscillator strength typo
2020-10-08 18:36:03 +02:00