| .. |
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acetaldehyde_ADC(2.5)_aug-cc-pVTZ_addon.dat
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Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
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acetaldehyde_ADC(2.5)_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
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acetaldehyde_ADC(2)_aug-cc-pVTZ_addon.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetaldehyde_ADC(2)_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetaldehyde_ADC(3)_aug-cc-pVTZ_addon.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetaldehyde_ADC(3)_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetaldehyde_CC2_aug-cc-pVTZ_addon.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetaldehyde_CC2_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetaldehyde_CC3_6-31+G(d).dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetaldehyde_CC3_aug-cc-pVDZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetaldehyde_CC3_aug-cc-pVQZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetaldehyde_CC3_aug-cc-pVTZ_addon.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetaldehyde_CC3_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetaldehyde_CC3(Full)_aug-cc-pVQZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
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Add missing geometry metadata
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2020-10-27 17:26:26 +01:00 |
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acetaldehyde_CCSD_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetaldehyde_CCSD(2)_aug-cc-pVTZ.dat
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Add missing geometry metadata
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2020-10-27 17:26:26 +01:00 |
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acetaldehyde_CCSDR(3)_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetaldehyde_CCSDT_6-31+G(d).dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetaldehyde_CCSDT_aug-cc-pVDZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetaldehyde_CCSDT_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetaldehyde_CCSDT-3_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetaldehyde_CIS(D)_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetaldehyde_CIS(D∞)_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetaldehyde_exp.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetaldehyde_FCI_aug-cc-pVDZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetaldehyde_FCI_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetaldehyde_SCS-CC2_aug-cc-pVTZ.dat
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Add missing geometry metadata
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2020-10-27 17:26:26 +01:00 |
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acetaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
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Add missing geometry metadata
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2020-10-27 17:26:26 +01:00 |
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acetaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
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Add missing geometry metadata
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2020-10-27 17:26:26 +01:00 |
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acetaldehyde_SOS-CC2_aug-cc-pVTZ.dat
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Add missing geometry metadata
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2020-10-27 17:26:26 +01:00 |
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acetaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetaldehyde_TBE_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetaldehyde_TBE(Full)_CBS.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetone_ADC(2.5)_aug-cc-pVTZ_addon.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetone_ADC(2.5)_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetone_ADC(2)_aug-cc-pVTZ_addon.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetone_ADC(2)_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetone_ADC(3)_aug-cc-pVTZ_addon.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetone_CC2_aug-cc-pVTZ_addon.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetone_CC2_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetone_CC3_6-31+G(d).dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetone_CC3_aug-cc-pVDZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetone_CC3_aug-cc-pVQZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetone_CC3_aug-cc-pVTZ_addon.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetone_CC3_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetone_CC3(Full)_aug-cc-pVQZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetone_CCCSDT-3_aug-cc-pVTZ.dat
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Add missing geometry metadata
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2020-10-27 17:26:26 +01:00 |
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acetone_CCSD_aug-cc-pVTZ.dat
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Denis new data
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2020-10-24 17:29:27 +02:00 |
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acetone_CCSD(2)_aug-cc-pVTZ.dat
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Add missing geometry metadata
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2020-10-27 17:26:26 +01:00 |
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acetone_CCSDR(3)_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetone_CCSDT_6-31+G(d).dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetone_CCSDT_aug-cc-pVDZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetone_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetone_CCSDT-3_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetone_CCSDTQ_6-31+G(d).dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetone_CIS(D)_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetone_exp.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetone_FCI_6-31+G(d).dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetone_NEVPT2_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetone_SCS-CC2_aug-cc-pVTZ.dat
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Add missing geometry metadata
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2020-10-27 17:26:26 +01:00 |
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acetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
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Add missing geometry metadata
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2020-10-27 17:26:26 +01:00 |
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acetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
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Add missing geometry metadata
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2020-10-27 17:26:26 +01:00 |
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acetone_SOS-CC2_aug-cc-pVTZ.dat
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Add missing geometry metadata
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2020-10-27 17:26:26 +01:00 |
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acetone_STEOM-CCSD_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetone_TBE_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetone_TBE(Full)_CBS.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetylene_ADC(2.5)_aug-cc-pVTZ_addon.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetylene_ADC(2.5)_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetylene_ADC(2)_aug-cc-pVTZ_addon.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetylene_ADC(2)_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetylene_ADC(3)_aug-cc-pVTZ_addon.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetylene_ADC(3)_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetylene_CC2_aug-cc-pVTZ_addon.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetylene_CC2_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetylene_CC3_6-31+G(d).dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetylene_CC3_aug-cc-pVDZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetylene_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetylene_CC3_aug-cc-pVTZ_addon.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetylene_CC3_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetylene_CC3_d-aug-cc-pVQZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetylene_CC3(Full)_aug-cc-pV5Z.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetylene_CC3(Full)_aug-cc-pVQZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetylene_CC3(Full)_d-aug-cc-pV5Z.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetylene_CC3(Full)_d-aug-cc-pVQZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetylene_CCCSDT-3_aug-cc-pVTZ.dat
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Add missing geometry metadata
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2020-10-27 17:26:26 +01:00 |
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acetylene_CCSD_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetylene_CCSD(2)_aug-cc-pVTZ.dat
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Add missing geometry metadata
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2020-10-27 17:26:26 +01:00 |
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acetylene_CCSDR(3)_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetylene_CCSDT_6-31+G(d).dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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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 Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acetylene_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acetylene_CCSDTQ_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
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acetylene_CCSDTQ_aug-cc-pVDZ.dat
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Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acetylene_CCSDTQ_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetylene_CIS(D)_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetylene_CIS(D∞)_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
|
acetylene_exp.dat
|
Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetylene_FCI_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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acetylene_FCI_aug-cc-pVTZ.dat
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
|
acetylene_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
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2020-10-27 17:26:26 +01:00 |
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acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
acetylene_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
acetylene_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acetylene_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acetylene_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_CASPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_CASPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_CASPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_CASPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_CC3_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_CC3_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_CC3_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
acrolein_CCSD_aug-cc-pVTZ.dat
|
Denis new data
|
2020-10-24 17:29:27 +02:00 |
|
acrolein_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
acrolein_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_FCI_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_FCI_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_MS-CASPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_MS-CASPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_MS-CASPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_MS-CASPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_NEVPT2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_PC-NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_PC-NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_PC-NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_PC-NEVPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_SC-NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_SC-NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_SC-NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_SC-NEVPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
acrolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
acrolein_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
acrolein_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
acrolein_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_TBE_CBS_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_XMS-CASPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_XMS-CASPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_XMS-CASPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
acrolein_XMS-CASPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
allyl_RO-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
allyl_RO-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
allyl_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
allyl_U-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
allyl_U-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_ADC(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CC3_d-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CC3_d-aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CC3_t-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CC3(Full)_aug-cc-pV5Z.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CC3(Full)_d-aug-cc-pV5Z.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CC3(Full)_d-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CC3(Full)_t-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
ammonia_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
ammonia_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CCSDT_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CCSDTQ_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CCSDTQ_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CCSDTQ_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CCSDTQP_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_CIS(D∞)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_FCI_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_FCI_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_FCI_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
ammonia_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
ammonia_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
ammonia_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
ammonia_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ammonia_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
aza-naphthalene_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
aza-naphthalene_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
aza-naphthalene_ADC(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
aza-naphthalene_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
aza-naphthalene_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
aza-naphthalene_CCCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
aza-naphthalene_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
aza-naphthalene_CCSD(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
aza-naphthalene_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
aza-naphthalene_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
aza-naphthalene_SCS-CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
aza-naphthalene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
aza-naphthalene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
aza-naphthalene_SOS-CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
aza-naphthalene_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
bef_RO-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
bef_RO-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
bef_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
bef_U-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
bef_U-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beh_RO-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beh_RO-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beh_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beh_U-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beh_U-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_CASPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_CASPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_CASPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_CASPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_CC3_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_CC3_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_CC3_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
benzene_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
benzene_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_CCSDT_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_CCSDT_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_FCI_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_MS-CASPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_MS-CASPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_MS-CASPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_MS-CASPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_NEVPT2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_PC-NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_PC-NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_PC-NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_PC-NEVPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_SC-NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_SC-NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_SC-NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_SC-NEVPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
benzene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
benzene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
benzene_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
benzene_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_TBE_CBS_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_XMS-CASPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_XMS-CASPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_XMS-CASPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzene_XMS-CASPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzoquinone_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzoquinone_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzoquinone_ADC(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzoquinone_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzoquinone_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzoquinone_CCCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzoquinone_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzoquinone_CCSD(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzoquinone_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzoquinone_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzoquinone_SCS-CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzoquinone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzoquinone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzoquinone_SOS-CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzoquinone_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
benzoquinone_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beryllium_CASPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beryllium_CASPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beryllium_CASPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beryllium_CASPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beryllium_CC3_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beryllium_CC3_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beryllium_CC3_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beryllium_CC3_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beryllium_CCSDT_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beryllium_CCSDT_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beryllium_CCSDT_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beryllium_CCSDT_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beryllium_CCSDTQ_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beryllium_CCSDTQ_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beryllium_CCSDTQ_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beryllium_CCSDTQ_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beryllium_FCI_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beryllium_FCI_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beryllium_FCI_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beryllium_FCI_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beryllium_NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beryllium_NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beryllium_NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beryllium_NEVPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
beryllium_TBE_CBS_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
bh2_RO-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
bh2_RO-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
bh2_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
bh2_U-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
bh2_U-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CASPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CASPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CASPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CASPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CC3_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CC3_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CC3_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CC3_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CC3_d-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
butadiene_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
butadiene_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CCSDT_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CCSDT_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CCSDTQ_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_FCI_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_FCI_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_FCI_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_NEVPT2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_PC-NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_PC-NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_PC-NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_PC-NEVPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_SC-NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_SC-NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_SC-NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_SC-NEVPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
butadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
butadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
butadiene_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
butadiene_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_TBE_CBS_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
butadiene_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_CASPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_CASPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_CASPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_CASPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_CC3_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_CC3_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_CC3_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_CC3_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_CCSDT_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_CCSDT_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_CCSDT_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_CCSDT_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_CCSDTQ_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_CCSDTQ_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_CCSDTQ_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_CCSDTQP_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_CCSDTQP_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_FCI_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_FCI_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_FCI_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_FCI_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_PC-NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_PC-NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_PC-NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_PC-NEVPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_SC-NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_SC-NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_SC-NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_SC-NEVPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_dimer_TBE_CBS_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_monoxide_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_ADC(2)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_ADC(3)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CC2_aug-cc-pVTZ_addon.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CC2_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CC3_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CC3_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CC3_aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CC3_aug-cc-pVTZ_addon.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CC3_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CC3_d-aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CC3_t-aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CC3(Full)_aug-cc-pV5Z.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CC3(Full)_aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CC3(Full)_d-aug-cc-pV5Z.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CC3(Full)_d-aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CC3(Full)_t-aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
carbon_monoxide_CCSD_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
carbon_monoxide_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CCSDT_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CCSDT_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CCSDT_aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CCSDT_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CCSDT-3_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CCSDTQ_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CCSDTQ_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CCSDTQ_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CCSDTQP_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CIS(D)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_CIS(D∞)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_exp.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_FCI_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_FCI_aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_FCI_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
carbon_monoxide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
carbon_monoxide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
carbon_monoxide_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
carbon_monoxide_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_TBE_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_monoxide_TBE(Full)_CBS.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbon_trimer_CASPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_trimer_CASPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_trimer_CASPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_trimer_CASPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_trimer_CC3_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_trimer_CC3_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_trimer_CC3_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_trimer_CC3_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_trimer_CCSDT_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_trimer_CCSDT_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_trimer_CCSDT_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_trimer_CCSDT_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_trimer_CCSDTQ_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_trimer_CCSDTQ_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_trimer_FCI_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_trimer_FCI_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_trimer_FCI_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_trimer_FCI_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_trimer_PC-NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_trimer_PC-NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_trimer_PC-NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_trimer_PC-NEVPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_trimer_SC-NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_trimer_SC-NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_trimer_SC-NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_trimer_SC-NEVPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbon_trimer_TBE_CBS_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
carbonylfluoride_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_ADC(2)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_ADC(3)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_CC2_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_CC3_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_CC3_aug-cc-pV5Z.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_CC3_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_CC3_aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_CC3_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_CC3(Full)_aug-cc-pCVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_CC3(Full)_aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
carbonylfluoride_CCSD_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
carbonylfluoride_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_CCSDT_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_CCSDT_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_CCSDT_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_CCSDT-3_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_CIS(D)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_EOM-MP2_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_FCI_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_FCI_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
carbonylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
carbonylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
carbonylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
carbonylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_TBE_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
carbonylfluoride_TBE(Full)_CBS.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
ccl2_ADC(2.5)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_ADC(2)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_ADC(3)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_CC2_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_CC3_6-31+G(d).dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_CC3_aug-cc-pV5Z.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_CC3_aug-cc-pVDZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_CC3_aug-cc-pVQZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_CC3_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_CC3(Full)_aug-cc-pCVQZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_CC3(Full)_aug-cc-pVQZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_CC3(SC)_aug-cc-pVQZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_CCCSDT-3_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
ccl2_CCSD_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_CCSD(2)_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
ccl2_CCSDR(3)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_CCSDT_6-31+G(d).dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_CCSDT_aug-cc-pVDZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_CCSDT_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_CCSDT-3_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_CCSDTQ_6-31+G(d).dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_CIS(D)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_EOM-MP2_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_FCI_aug-cc-pVDZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_FCI_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_SCS-CC2_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
ccl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
ccl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
ccl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_SOS-CC2_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
ccl2_STEOM-CCSD_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_TBE_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ccl2_TBE(Full)_CBS.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_ADC(2.5)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_ADC(2)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_ADC(3)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_CC2_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_CC3_6-31+G(d).dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_CC3_aug-cc-pV5Z.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_CC3_aug-cc-pVDZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_CC3_aug-cc-pVQZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_CC3_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_CC3(Full)_aug-cc-pCVQZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_CC3(Full)_aug-cc-pVQZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_CC3(SC)_aug-cc-pVQZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cclf_CCSD_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cclf_CCSDR(3)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_CCSDT_6-31+G(d).dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_CCSDT_aug-cc-pVDZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_CCSDT_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_CCSDT-3_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_CCSDTQ_6-31+G(d).dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_CIS(D)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_EOM-MP2_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_FCI_aug-cc-pVDZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_FCI_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_SCS-CC2 [TM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cclf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cclf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cclf_SOS-CC2 [TM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cclf_STEOM-CCSD_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_TBE_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cclf_TBE(Full)_CBS.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_ADC(2.5)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_ADC(2)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_ADC(3)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_CC2_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_CC3_6-31+G(d).dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_CC3_aug-cc-pV5Z.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_CC3_aug-cc-pVDZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_CC3_aug-cc-pVQZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_CC3_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_CC3(Full)_aug-cc-pCVQZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_CC3(Full)_aug-cc-pVQZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_CCCSDT-3_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
cf2_CCSD_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_CCSD(2)_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
cf2_CCSDR(3)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_CCSDT_6-31+G(d).dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_CCSDT_aug-cc-pVDZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_CCSDT_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_CCSDT-3_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_CCSDTQ_6-31+G(d).dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_CCSDTQ_aug-cc-pVDZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_CIS(D)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_EOM-MP2_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_FCI_aug-cc-pVDZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_FCI_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_SCS-CC2 [TM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_SCS-CC2_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
cf2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
cf2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
cf2_SOS-CC2 [TM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_SOS-CC2_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
cf2_STEOM-CCSD_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_TBE_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
cf2_TBE(Full)_CBS.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
ch3_RO-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ch3_RO-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ch3_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ch3_U-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ch3_U-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ch_RO-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ch_RO-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ch_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ch_U-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ch_U-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cn_RO-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cn_RO-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cn_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cn_U-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cn_U-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cno_RO-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cno_RO-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cno_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cno_U-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cno_U-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
co+_RO-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
co+_RO-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
co+_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
co+_U-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
co+_U-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoacetylene_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoacetylene_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoacetylene_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoacetylene_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoacetylene_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoacetylene_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoacetylene_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoacetylene_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoacetylene_CC3_aug-cc-pV5Z.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 Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoacetylene_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoacetylene_CC3_d-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoacetylene_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoacetylene_CC3(Full)_d-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyanoacetylene_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyanoacetylene_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
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 Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoacetylene_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
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 Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoacetylene_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
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_NEVPT2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyanoacetylene_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoacetylene_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoacetylene_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_CC3_d-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyanoformaldehyde_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyanoformaldehyde_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_FCI_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_NEVPT2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyanoformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyanoformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyanoformaldehyde_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyanoformaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanoformaldehyde_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
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanogen_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanogen_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanogen_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanogen_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanogen_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanogen_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
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
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanogen_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
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_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyanogen_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanogen_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyanogen_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
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
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanogen_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
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
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanogen_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
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)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +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
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanogen_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyanogen_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadiene_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadiene_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadiene_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadiene_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadiene_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadiene_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadiene_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadiene_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadiene_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadiene_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadiene_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadiene_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadiene_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyclopentadiene_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadiene_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyclopentadiene_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadiene_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadiene_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadiene_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadiene_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadiene_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadiene_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadiene_NEVPT2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadiene_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyclopentadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyclopentadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyclopentadiene_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyclopentadiene_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadiene_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadiene_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienethione_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienethione_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienethione_ADC(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienethione_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienethione_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienethione_CCCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienethione_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienethione_CCSD(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienethione_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienethione_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienethione_SCS-CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienethione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienethione_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienethione_SOS-CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienethione_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienethione_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienone_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienone_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienone_ADC(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienone_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienone_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienone_CCCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienone_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienone_CCSD(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienone_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienone_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienone_SCS-CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienone_SOS-CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienone_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopentadienone_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_ADC(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_CCCSDT-3_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
cyclopropene_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_CCSD(2)_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
cyclopropene_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_CIS(D∞)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_FCI_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_FCI_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_SCS-CC2_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
cyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
cyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
cyclopropene_SOS-CC2_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
cyclopropene_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropene_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_CC3_aug-cc-pV5Z.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_CC3_d-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyclopropenethione_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyclopropenethione_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_CCSDTQ_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_FCI_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_NEVPT2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyclopropenethione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyclopropenethione_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyclopropenethione_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyclopropenethione_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenethione_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_CC3_aug-cc-pV5Z.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_CC3_d-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyclopropenone_CCSD_aug-cc-pVTZ.dat
|
Denis new data
|
2020-10-24 17:29:27 +02:00 |
|
cyclopropenone_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyclopropenone_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_CCSDTQ_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_FCI_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_NEVPT2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyclopropenone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyclopropenone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyclopropenone_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
cyclopropenone_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
cyclopropenone_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_CC3_aug-cc-pV5Z.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_CC3_d-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_CC3(Full)_d-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
diacetylene_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
diacetylene_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_CCSDTQ_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_CCSDTQ_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_FCI_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_FCI_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_NEVPT2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
diacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
diacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
diacetylene_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
diacetylene_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diacetylene_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diazirine_ADC(2.5)_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
diazirine_ADC(2)_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
diazirine_ADC(3)_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
diazirine_CC2_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
diazirine_CC3_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
diazirine_CCCSDT-3_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
diazirine_CCSD_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
diazirine_CCSD(2)_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
diazirine_CCSDR(3)_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
diazirine_CIS(D)_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
diazirine_SCS-CC2_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
diazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
diazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
diazirine_SOS-CC2_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
diazirine_STEOM-CCSD_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
diazirine_TBE_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
diazomethane_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diazomethane_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diazomethane_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diazomethane_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diazomethane_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diazomethane_ADC(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diazomethane_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diazomethane_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
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 Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diazomethane_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
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_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
diazomethane_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diazomethane_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
diazomethane_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
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 Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diazomethane_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diazomethane_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diazomethane_CIS(D∞)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diazomethane_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diazomethane_FCI_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diazomethane_FCI_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diazomethane_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
diazomethane_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
diazomethane_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diazomethane_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
diazomethane_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
difluorodiazirine_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
difluorodiazirine_ADC(2)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
difluorodiazirine_ADC(3)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
difluorodiazirine_CC2_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
difluorodiazirine_CC3_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
difluorodiazirine_CC3_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
difluorodiazirine_CC3_aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
difluorodiazirine_CC3_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
difluorodiazirine_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
difluorodiazirine_CCSD_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
difluorodiazirine_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
difluorodiazirine_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
difluorodiazirine_CCSDT_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
difluorodiazirine_CCSDT_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
difluorodiazirine_CCSDT_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
difluorodiazirine_CCSDT-3_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
difluorodiazirine_CIS(D)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
difluorodiazirine_EOM-MP2_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
difluorodiazirine_SCS-CC2 [TM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
difluorodiazirine_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
difluorodiazirine_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
difluorodiazirine_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
difluorodiazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
difluorodiazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
difluorodiazirine_SOS-CC2 [TM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
difluorodiazirine_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
difluorodiazirine_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
difluorodiazirine_TBE_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
difluorodiazirine_TBE(Full)_CBS.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
dinitrogen_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_ADC(2.5)_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_ADC(2)_aug-cc-pVTZ_addon.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_ADC(2)_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_ADC(3)_aug-cc-pVTZ_addon.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_ADC(3)_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_CC2_aug-cc-pVTZ_addon.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_CC2_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_CC3_6-31+G(d).dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_CC3_aug-cc-pVDZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_CC3_aug-cc-pVQZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_CC3_aug-cc-pVTZ_addon.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_CC3_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_CC3_d-aug-cc-pVQZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_CC3_t-aug-cc-pVQZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_CC3(Full)_aug-cc-pV5Z.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
dinitrogen_CC3(Full)_d-aug-cc-pV5Z.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_CC3(Full)_d-aug-cc-pVQZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_CC3(Full)_t-aug-cc-pVQZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_CCCSDT-3_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
dinitrogen_CCSD_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_CCSD(2)_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
dinitrogen_CCSDR(3)_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_CCSDT_6-31+G(d).dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_CCSDT_aug-cc-pVDZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_CCSDT_aug-cc-pVQZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_CCSDT_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_CCSDT-3_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_CCSDTQ_6-31+G(d).dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_CCSDTQ_aug-cc-pVDZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_CCSDTQ_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_CCSDTQP_aug-cc-pVDZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_CIS(D)_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_CIS(D∞)_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_exp.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_FCI_aug-cc-pVDZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_FCI_aug-cc-pVQZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_FCI_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_SCS-CC2_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
dinitrogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
dinitrogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
dinitrogen_SOS-CC2_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
dinitrogen_STEOM-CCSD_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_TBE_aug-cc-pVTZ.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
dinitrogen_TBE(Full)_CBS.dat
|
Denis fix
|
2020-10-19 18:52:09 +02:00 |
|
ethylene_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_ADC(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CASPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CASPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CASPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CASPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CC3_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CC3_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CC3_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CC3_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CC3_d-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CC3(Full)_aug-cc-pV5Z.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CC3(Full)_d-aug-cc-pV5Z.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CC3(Full)_d-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
ethylene_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
ethylene_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CCSDT_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CCSDT_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CCSDTQ_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CCSDTQ_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CCSDTQ_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CCSDTQ_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CCSDTQ_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CCSDTQP_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_CIS(D∞)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_FCI_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_FCI_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_FCI_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_FCI_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_FCI_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_MS-CASPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_MS-CASPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_MS-CASPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_MS-CASPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_PC-NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_PC-NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_PC-NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_PC-NEVPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_SC-NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_SC-NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_SC-NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_SC-NEVPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
ethylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
ethylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
ethylene_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
ethylene_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_TBE_CBS_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_XMS-CASPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_XMS-CASPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_XMS-CASPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ethylene_XMS-CASPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
f2bo_RO-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
f2bo_RO-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
f2bo_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
f2bo_U-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
f2bo_U-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
f2bs_RO-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
f2bs_RO-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
f2bs_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
f2bs_U-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
f2bs_U-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_ADC(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_CASPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_CASPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_CASPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_CASPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_CC3_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_CC3_aug-cc-pVDZ_double.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_double.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 Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_CC3_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
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_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
formaldehyde_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
formaldehyde_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_CCSDT_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_CCSDT_aug-cc-pVDZ_double.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-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_CCSDT_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_CCSDTQ_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_CCSDTQ_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_CCSDTQ_aug-cc-pVDZ_double.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_CCSDTQ_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_CCSDTQP_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_CIS(D∞)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_FCI_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_FCI_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_FCI_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_FCI_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_FCI_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_MS-CASPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_MS-CASPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_MS-CASPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_MS-CASPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_PC-NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_PC-NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_PC-NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_PC-NEVPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_SC-NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_SC-NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_SC-NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_SC-NEVPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
formaldehyde_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
formaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_TBE_CBS_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_XMS-CASPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_XMS-CASPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_XMS-CASPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formaldehyde_XMS-CASPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_ADC(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
formamide_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
formamide_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_CIS(D∞)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_FCI_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_FCI_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
formamide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
formamide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
formamide_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
formamide_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formamide_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
formylfluoride_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_ADC(2)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_ADC(3)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_CC2_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_CC3_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_CC3_aug-cc-pV5Z.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_CC3_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_CC3_aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_CC3_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_CC3(Full)_aug-cc-pCVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_CC3(Full)_aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
formylfluoride_CCSD_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
formylfluoride_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_CCSDT_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_CCSDT_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_CCSDT_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_CCSDT-3_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_CCSDTQ_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_CIS(D)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_EOM-MP2_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_FCI_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
formylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
formylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
formylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
formylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_TBE_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
formylfluoride_TBE(Full)_CBS.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
furan_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
furan_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
furan_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
furan_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
furan_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
furan_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
furan_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
furan_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
furan_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
furan_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
furan_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
furan_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
furan_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
furan_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
furan_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
furan_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
furan_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
furan_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
furan_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
furan_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
furan_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
furan_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
furan_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
furan_NEVPT2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
furan_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
furan_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
furan_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
furan_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
furan_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
furan_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
furan_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CASPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CASPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CASPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CASPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CC3_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CC3_aug-cc-pV5Z.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CC3_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CC3_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CC3_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CC3_d-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
glyoxal_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
glyoxal_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CCSDT_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CCSDT_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CCSDT_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CCSDTQ_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_FCI_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_FCI_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_FCI_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_NEVPT2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_PC-NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_PC-NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_PC-NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_PC-NEVPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_SC-NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_SC-NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_SC-NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_SC-NEVPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
glyoxal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
glyoxal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
glyoxal_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
glyoxal_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_TBE_CBS_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
glyoxal_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
h2bo_RO-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
h2bo_RO-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
h2bo_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
h2bo_U-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
h2bo_U-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
h2po_RO-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
h2po_RO-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
h2po_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
h2po_U-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
h2po_U-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
h2ps_RO-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
h2ps_RO-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
h2ps_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
h2ps_U-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
h2ps_U-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hccl_ADC(2.5)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_ADC(2)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_ADC(3)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_CC2_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_CC3_6-31+G(d).dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_CC3_aug-cc-pV5Z.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_CC3_aug-cc-pVDZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_CC3_aug-cc-pVQZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_CC3_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_CC3(Full)_aug-cc-pCVQZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_CC3(Full)_aug-cc-pVQZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_CC3(SC)_aug-cc-pVQZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hccl_CCSD_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hccl_CCSDR(3)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_CCSDT_6-31+G(d).dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_CCSDT_aug-cc-pVDZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_CCSDT_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_CCSDT-3_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_CCSDTQ_6-31+G(d).dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_CCSDTQ_aug-cc-pVDZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_CCSDTQP_6-31+G(d).dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_CIS(D)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_EOM-MP2_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_FCI_aug-cc-pVDZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_FCI_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_SCS-CC2 [TM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hccl_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hccl_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hccl_SOS-CC2 [TM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hccl_STEOM-CCSD_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_TBE_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hccl_TBE(Full)_CBS.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_ADC(2.5)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_ADC(2)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_ADC(3)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_CC2_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_CC3_6-31+G(d).dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_CC3_aug-cc-pV5Z.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_CC3_aug-cc-pVDZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_CC3_aug-cc-pVQZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_CC3_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_CC3(Full)_aug-cc-pCVQZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_CC3(Full)_aug-cc-pVQZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hcf_CCSD_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hcf_CCSDR(3)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_CCSDT_6-31+G(d).dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_CCSDT_aug-cc-pVDZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_CCSDT_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_CCSDT-3_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_CCSDTQ_6-31+G(d).dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_CCSDTQ_aug-cc-pVDZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_CCSDTQP_6-31+G(d).dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_CIS(D)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_EOM-MP2_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_FCI_aug-cc-pVDZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_FCI_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_SCS-CC2 [TM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hcf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hcf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hcf_SOS-CC2 [TM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hcf_STEOM-CCSD_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_TBE_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hcf_TBE(Full)_CBS.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hco_RO-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hco_RO-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hco_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hco_U-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hco_U-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hcp_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_ADC(2)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_ADC(3)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_CC2_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_CC3_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_CC3_aug-cc-pV5Z.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_CC3_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_CC3_aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_CC3_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_CC3(Full)_aug-cc-pCVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_CC3(Full)_aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_CC3(SC)_aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hcp_CCSD_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hcp_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_CCSDT_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_CCSDT_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_CCSDT_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_CCSDT-3_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_CCSDTQ_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_CCSDTQ_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_CCSDTQ_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_CCSDTQP_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_CIS(D)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_EOM-MP2_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_FCI_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_FCI_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_SCS-CC2 [TM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hcp_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hcp_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hcp_SOS-CC2 [TM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hcp_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_TBE_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hcp_TBE(Full)_CBS.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hexatriene_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix hexatriene geom
|
2020-10-27 16:48:46 +01:00 |
|
hexatriene_ADC(2)_aug-cc-pVTZ.dat
|
Fix hexatriene geom
|
2020-10-27 16:48:46 +01:00 |
|
hexatriene_ADC(3)_aug-cc-pVTZ.dat
|
Fix hexatriene geom
|
2020-10-27 16:48:46 +01:00 |
|
hexatriene_CASPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hexatriene_CASPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hexatriene_CASPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hexatriene_CASPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hexatriene_CC2_aug-cc-pVTZ.dat
|
Fix hexatriene geom
|
2020-10-27 16:48:46 +01:00 |
|
hexatriene_CC3_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hexatriene_CC3_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hexatriene_CC3_aug-cc-pVTZ.dat
|
Fix hexatriene geom
|
2020-10-27 16:48:46 +01:00 |
|
hexatriene_CCCSDT-3_aug-cc-pVTZ.dat
|
Fix hexatriene geom
|
2020-10-27 16:48:46 +01:00 |
|
hexatriene_CCSD_aug-cc-pVTZ.dat
|
Fix hexatriene geom
|
2020-10-27 16:48:46 +01:00 |
|
hexatriene_CCSD(2)_aug-cc-pVTZ.dat
|
Fix hexatriene geom
|
2020-10-27 16:48:46 +01:00 |
|
hexatriene_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix hexatriene geom
|
2020-10-27 16:48:46 +01:00 |
|
hexatriene_CCSDT_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hexatriene_CIS(D)_aug-cc-pVTZ.dat
|
Fix hexatriene geom
|
2020-10-27 16:48:46 +01:00 |
|
hexatriene_PC-NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hexatriene_PC-NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hexatriene_PC-NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hexatriene_PC-NEVPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hexatriene_SC-NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hexatriene_SC-NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hexatriene_SC-NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hexatriene_SC-NEVPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hexatriene_SCS-CC2_aug-cc-pVTZ.dat
|
Fix hexatriene geom
|
2020-10-27 16:48:46 +01:00 |
|
hexatriene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Fix hexatriene geom
|
2020-10-27 16:48:46 +01:00 |
|
hexatriene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Fix hexatriene geom
|
2020-10-27 16:48:46 +01:00 |
|
hexatriene_SOS-CC2_aug-cc-pVTZ.dat
|
Fix hexatriene geom
|
2020-10-27 16:48:46 +01:00 |
|
hexatriene_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix hexatriene geom
|
2020-10-27 16:48:46 +01:00 |
|
hexatriene_TBE_aug-cc-pVTZ.dat
|
Fix hexatriene geom
|
2020-10-27 16:48:46 +01:00 |
|
hexatriene_TBE_CBS_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hoc_RO-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hoc_RO-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hoc_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hoc_U-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hoc_U-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hpo_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_ADC(2)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_ADC(3)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_CC2_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_CC3_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_CC3_aug-cc-pV5Z.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_CC3_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_CC3_aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_CC3_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_CC3(Full)_aug-cc-pCVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_CC3(Full)_aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_CC3(SC)_aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hpo_CCSD_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hpo_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_CCSDT_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_CCSDT_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_CCSDT_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_CCSDT-3_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_CCSDTQ_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_CCSDTQ_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_CCSDTQP_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_CIS(D)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_EOM-MP2_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_FCI_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_FCI_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_SCS-CC2 [TM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hpo_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hpo_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hpo_SOS-CC2 [TM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hpo_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_TBE_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hpo_TBE(Full)_CBS.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_ADC(2)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_ADC(3)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_CC2_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_CC3_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_CC3_aug-cc-pV5Z.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_CC3_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_CC3_aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_CC3_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_CC3(Full)_aug-cc-pCVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_CC3(Full)_aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_CC3(SC)_aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hps_CCSD_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hps_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_CCSDT_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_CCSDT_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_CCSDT_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_CCSDT-3_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_CCSDTQ_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_CCSDTQ_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_CCSDTQP_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_CIS(D)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_EOM-MP2_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_FCI_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_FCI_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_SCS-CC2 [TM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hps_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hps_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hps_SOS-CC2 [TM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hps_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_TBE_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hps_TBE(Full)_CBS.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hsif_ADC(2.5)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_ADC(2)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_ADC(3)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_CC2_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_CC3_6-31+G(d).dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_CC3_aug-cc-pV5Z.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_CC3_aug-cc-pVDZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_CC3_aug-cc-pVQZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_CC3_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_CC3(Full)_aug-cc-pCVQZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_CC3(Full)_aug-cc-pVQZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_CC3(SC)_aug-cc-pVQZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_CCCSDT-3_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
hsif_CCSD_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_CCSD(2)_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
hsif_CCSDR(3)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_CCSDT_6-31+G(d).dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_CCSDT_aug-cc-pVDZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_CCSDT_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_CCSDT-3_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_CCSDTQ_6-31+G(d).dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_CCSDTQ_aug-cc-pVDZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_CCSDTQP_6-31+G(d).dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_CIS(D)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_EOM-MP2_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_FCI_aug-cc-pVDZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_FCI_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_SCS-CC2 [TM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_SCS-CC2_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
hsif_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
hsif_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
hsif_SOS-CC2 [TM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_SOS-CC2_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
hsif_STEOM-CCSD_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_TBE_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hsif_TBE(Full)_CBS.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
hydrogen_chloride_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_ADC(2)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_ADC(3)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CC2_aug-cc-pVTZ_addon.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CC2_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CC3_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CC3_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CC3_aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CC3_aug-cc-pVTZ_addon.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CC3_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CC3_d-aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CC3_d-aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CC3_t-aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CC3(Full)_aug-cc-pV5Z.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CC3(Full)_aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CC3(Full)_d-aug-cc-pV5Z.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CC3(Full)_d-aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CC3(Full)_t-aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hydrogen_chloride_CCSD_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hydrogen_chloride_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CCSDT_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CCSDT_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CCSDT_aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CCSDT_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CCSDT-3_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CCSDTQ_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CCSDTQ_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CCSDTQ_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CCSDTQP_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CIS(D)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_CIS(D∞)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_FCI_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_FCI_aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_FCI_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hydrogen_chloride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hydrogen_chloride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hydrogen_chloride_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hydrogen_chloride_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_TBE_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_chloride_TBE(Full)_CBS.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
hydrogen_sulfide_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_ADC(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CC3_d-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CC3_d-aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CC3_t-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CC3(Full)_aug-cc-pV5Z.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CC3(Full)_d-aug-cc-pV5Z.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CC3(Full)_d-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CC3(Full)_t-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hydrogen_sulfide_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hydrogen_sulfide_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CCSDT_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CCSDTQ_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CCSDTQ_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CCSDTQ_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CCSDTQP_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_CIS(D∞)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_FCI_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_FCI_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_FCI_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hydrogen_sulfide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hydrogen_sulfide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hydrogen_sulfide_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
hydrogen_sulfide_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
hydrogen_sulfide_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
imidazole_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
imidazole_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
imidazole_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
imidazole_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
imidazole_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
imidazole_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
imidazole_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
imidazole_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
imidazole_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
imidazole_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
imidazole_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
imidazole_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
imidazole_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
imidazole_CCSD_aug-cc-pVTZ.dat
|
Denis new data
|
2020-10-24 17:29:27 +02:00 |
|
imidazole_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
imidazole_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
imidazole_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
imidazole_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
imidazole_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
imidazole_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
imidazole_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
imidazole_NEVPT2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
imidazole_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
imidazole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
imidazole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
imidazole_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
imidazole_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
imidazole_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
imidazole_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
isobutene_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
isobutene_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
isobutene_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
isobutene_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
isobutene_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
isobutene_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
isobutene_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
isobutene_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
isobutene_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
isobutene_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
isobutene_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
isobutene_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
isobutene_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
isobutene_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
isobutene_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
isobutene_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
isobutene_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
isobutene_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
isobutene_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
isobutene_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
isobutene_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
isobutene_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
isobutene_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
isobutene_FCI_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
isobutene_NEVPT2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
isobutene_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
isobutene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
isobutene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
isobutene_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
isobutene_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
isobutene_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
isobutene_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 Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ketene_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ketene_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ketene_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ketene_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ketene_ADC(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ketene_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ketene_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
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 Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ketene_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
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_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
ketene_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ketene_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
ketene_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
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 Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ketene_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ketene_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ketene_CIS(D∞)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ketene_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ketene_FCI_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ketene_FCI_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ketene_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
ketene_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
ketene_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ketene_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ketene_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
maleimide_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
maleimide_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
maleimide_ADC(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
maleimide_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
maleimide_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
maleimide_CCCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
maleimide_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
maleimide_CCSD(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
maleimide_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
maleimide_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
maleimide_SCS-CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
maleimide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
maleimide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
maleimide_SOS-CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
maleimide_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
maleimide_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_ADC(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_CC3_d-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_CC3(Full)_aug-cc-pV5Z.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_CC3(Full)_d-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
methanimine_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
methanimine_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_CCSDTQ_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_CCSDTQ_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_CCSDTQ_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_CIS(D∞)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_FCI_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_FCI_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
methanimine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
methanimine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
methanimine_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
methanimine_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methanimine_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_CC3_aug-cc-pV5Z.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_CC3_d-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
methylenecyclopropene_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
methylenecyclopropene_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_CCSDTQ_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_FCI_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_NEVPT2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
methylenecyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
methylenecyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
methylenecyclopropene_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
methylenecyclopropene_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
methylenecyclopropene_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
naphthalene_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
naphthalene_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
naphthalene_ADC(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
naphthalene_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
naphthalene_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
naphthalene_CCCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
naphthalene_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
naphthalene_CCSD(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
naphthalene_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
naphthalene_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
naphthalene_SCS-CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
naphthalene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
naphthalene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
naphthalene_SOS-CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
naphthalene_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nco_RO-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nco_RO-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nco_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nco_U-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nco_U-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nh2_RO-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nh2_RO-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nh2_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nh2_U-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nh2_U-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitromethyl_RO-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitromethyl_RO-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitromethyl_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitromethyl_U-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitromethyl_U-CCSD_aug-cc-pVTZ.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_CASPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitrosomethane_CASPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitrosomethane_CASPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitrosomethane_CASPT2_aug-cc-pVTZ_double.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)_double.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_double.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_double.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
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitrosomethane_CC3_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitrosomethane_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitrosomethane_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
nitrosomethane_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +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)_double.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_double.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_double.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_CIS(D∞)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitrosomethane_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitrosomethane_FCI_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitrosomethane_FCI_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitrosomethane_FCI_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitrosomethane_FCI_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitrosomethane_FCI_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitrosomethane_PC-NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitrosomethane_PC-NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitrosomethane_PC-NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitrosomethane_PC-NEVPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitrosomethane_SC-NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitrosomethane_SC-NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitrosomethane_SC-NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitrosomethane_SC-NEVPT2_aug-cc-pVTZ_double.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)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +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
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitrosomethane_TBE_CBS_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitrosomethane_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_ADC(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_CASPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_CASPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_CASPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_CASPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_CC3_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_CC3_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_CC3_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_CC3_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_CCCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_CCSD(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_CCSDT_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_CCSDT_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_CCSDT_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_CCSDT_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_CCSDTQ_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_CCSDTQ_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_CCSDTQP_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_FCI_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_FCI_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_FCI_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_FCI_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_PC-NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_PC-NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_PC-NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_PC-NEVPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_SC-NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_SC-NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_SC-NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_SC-NEVPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_SCS-CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_SOS-CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
nitroxyl_TBE_CBS_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
no_RO-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
no_RO-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
no_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
no_U-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
no_U-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
octatetraene_ADC(2.5)_aug-cc-pVTZ.dat
|
Add geometry and xyz for octatetraene
|
2020-10-27 09:18:43 +01:00 |
|
octatetraene_ADC(2)_aug-cc-pVTZ.dat
|
Add geometry and xyz for octatetraene
|
2020-10-27 09:18:43 +01:00 |
|
octatetraene_ADC(3)_aug-cc-pVTZ.dat
|
Add geometry and xyz for octatetraene
|
2020-10-27 09:18:43 +01:00 |
|
octatetraene_CC2_aug-cc-pVTZ.dat
|
Add geometry and xyz for octatetraene
|
2020-10-27 09:18:43 +01:00 |
|
octatetraene_CC3_aug-cc-pVTZ.dat
|
Add geometry and xyz for octatetraene
|
2020-10-27 09:18:43 +01:00 |
|
octatetraene_CCCSDT-3_aug-cc-pVTZ.dat
|
Add geometry and xyz for octatetraene
|
2020-10-27 09:18:43 +01:00 |
|
octatetraene_CCSD_aug-cc-pVTZ.dat
|
Add geometry and xyz for octatetraene
|
2020-10-27 09:18:43 +01:00 |
|
octatetraene_CCSD(2)_aug-cc-pVTZ.dat
|
Add geometry and xyz for octatetraene
|
2020-10-27 09:18:43 +01:00 |
|
octatetraene_CCSDR(3)_aug-cc-pVTZ.dat
|
Add geometry and xyz for octatetraene
|
2020-10-27 09:18:43 +01:00 |
|
octatetraene_CIS(D)_aug-cc-pVTZ.dat
|
Add geometry and xyz for octatetraene
|
2020-10-27 09:18:43 +01:00 |
|
octatetraene_SCS-CC2_aug-cc-pVTZ.dat
|
Add geometry and xyz for octatetraene
|
2020-10-27 09:18:43 +01:00 |
|
octatetraene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add geometry and xyz for octatetraene
|
2020-10-27 09:18:43 +01:00 |
|
octatetraene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add geometry and xyz for octatetraene
|
2020-10-27 09:18:43 +01:00 |
|
octatetraene_SOS-CC2_aug-cc-pVTZ.dat
|
Add geometry and xyz for octatetraene
|
2020-10-27 09:18:43 +01:00 |
|
octatetraene_TBE_aug-cc-pVTZ.dat
|
Fix %T_1 missing on TBE for octatetraene
|
2020-11-03 16:36:32 +01:00 |
|
oh_RO-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
oh_RO-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
oh_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
oh_U-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
oh_U-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ph2_RO-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ph2_RO-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ph2_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ph2_U-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
ph2_U-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
propynal_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
propynal_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
propynal_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
propynal_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
propynal_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
propynal_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
propynal_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
propynal_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
propynal_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
propynal_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
propynal_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
propynal_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
propynal_CC3_d-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
propynal_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
propynal_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
propynal_CCSD_aug-cc-pVTZ.dat
|
Denis new data
|
2020-10-24 17:29:27 +02:00 |
|
propynal_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
propynal_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
propynal_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
propynal_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
propynal_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
propynal_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
propynal_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
propynal_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
propynal_FCI_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
propynal_NEVPT2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
propynal_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
propynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
propynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
propynal_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
propynal_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
propynal_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
propynal_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_CASPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_CASPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_CASPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_CASPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_CC3_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_CC3_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_CC3_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyrazine_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyrazine_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_NEVPT2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_PC-NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_PC-NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_PC-NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_PC-NEVPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_SC-NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_SC-NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_SC-NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_SC-NEVPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyrazine_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyrazine_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_TBE_CBS_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrazine_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridazine_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridazine_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridazine_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridazine_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridazine_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridazine_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridazine_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridazine_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridazine_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridazine_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridazine_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridazine_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridazine_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyridazine_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridazine_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyridazine_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridazine_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridazine_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridazine_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridazine_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridazine_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridazine_NEVPT2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridazine_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyridazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyridazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyridazine_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyridazine_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridazine_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridazine_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridine_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridine_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridine_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridine_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridine_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridine_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridine_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridine_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridine_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridine_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridine_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridine_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridine_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyridine_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridine_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyridine_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridine_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridine_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridine_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridine_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridine_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridine_NEVPT2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridine_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyridine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyridine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyridine_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyridine_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridine_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyridine_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrimidine_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrimidine_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrimidine_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrimidine_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrimidine_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrimidine_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrimidine_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrimidine_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrimidine_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrimidine_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrimidine_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrimidine_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrimidine_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyrimidine_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrimidine_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyrimidine_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrimidine_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrimidine_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrimidine_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrimidine_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrimidine_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrimidine_NEVPT2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrimidine_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyrimidine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyrimidine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyrimidine_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyrimidine_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrimidine_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrimidine_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrrole_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrrole_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrrole_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrrole_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrrole_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrrole_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrrole_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrrole_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrrole_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrrole_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrrole_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrrole_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrrole_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrrole_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyrrole_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrrole_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyrrole_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrrole_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrrole_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrrole_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrrole_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrrole_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrrole_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrrole_NEVPT2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrrole_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyrrole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyrrole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyrrole_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
pyrrole_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrrole_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
pyrrole_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
sicl2_ADC(2.5)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_ADC(2)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_ADC(3)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_CC2_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_CC3_6-31+G(d).dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_CC3_aug-cc-pV5Z.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_CC3_aug-cc-pVDZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_CC3_aug-cc-pVQZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_CC3_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_CC3(Full)_aug-cc-pCVQZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_CC3(Full)_aug-cc-pVQZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_CC3(SC)_aug-cc-pVQZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_CCCSDT-3_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
sicl2_CCSD_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_CCSD(2)_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
sicl2_CCSDR(3)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_CCSDT_6-31+G(d).dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_CCSDT_aug-cc-pVDZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_CCSDT_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_CCSDT-3_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_CCSDTQ_6-31+G(d).dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_CIS(D)_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_EOM-MP2_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_FCI_aug-cc-pVDZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_FCI_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_SCS-CC2_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
sicl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
sicl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
sicl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_SOS-CC2_aug-cc-pVTZ.dat
|
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
|
2020-10-27 17:26:32 +01:00 |
|
sicl2_STEOM-CCSD_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_TBE_aug-cc-pVTZ.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
sicl2_TBE(Full)_CBS.dat
|
New \sigma \rightarrow \pi^\star fix
|
2020-10-20 17:40:41 +02:00 |
|
silylidene_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_ADC(2)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_ADC(3)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_CC2_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_CC3_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_CC3_aug-cc-pV5Z.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_CC3_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_CC3_aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_CC3_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_CC3(Full)_aug-cc-pCVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_CC3(Full)_aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_CC3(SC)_aug-cc-pVQZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
silylidene_CCSD_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
silylidene_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_CCSDT_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_CCSDT_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_CCSDT_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_CCSDT-3_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_CCSDTQ_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_CCSDTQ_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_CCSDTQ_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_CCSDTQP_6-31+G(d).dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_CIS(D)_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_EOM-MP2_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_FCI_aug-cc-pVDZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_FCI_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_SCS-CC2 [TM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
silylidene_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
silylidene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
silylidene_SOS-CC2 [TM]_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
silylidene_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_TBE_aug-cc-pVTZ.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
silylidene_TBE(Full)_CBS.dat
|
Fix transition types
|
2020-10-16 17:34:32 +02:00 |
|
streptocyanine-c1_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c1_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c1_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c1_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c1_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c1_ADC(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c1_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c1_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c1_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c1_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c1_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c1_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c1_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c1_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
streptocyanine-c1_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c1_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
streptocyanine-c1_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c1_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c1_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c1_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c1_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c1_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c1_CIS(D∞)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c1_FCI_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c1_FCI_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c1_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
streptocyanine-c1_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
streptocyanine-c1_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
streptocyanine-c1_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
streptocyanine-c1_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c1_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c1_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c3_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c3_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c3_ADC(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c3_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c3_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c3_CCCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c3_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c3_CCSD(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c3_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c3_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c3_SCS-CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c3_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c3_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c3_SOS-CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c3_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c3_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c5_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c5_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c5_ADC(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c5_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c5_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c5_CCCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c5_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c5_CCSD(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c5_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c5_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c5_SCS-CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c5_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c5_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c5_SOS-CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c5_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-c5_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
streptocyanine-C1_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_CASPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_CASPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_CASPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_CASPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_CC3_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_CC3_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_CC3_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_CC3_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
tetrazine_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
tetrazine_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_CCSDT_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_CCSDT_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_NEVPT2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_PC-NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_PC-NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_PC-NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_PC-NEVPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_SC-NEVPT2_6-31+G(d)_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_SC-NEVPT2_aug-cc-pVDZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_SC-NEVPT2_aug-cc-pVQZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_SC-NEVPT2_aug-cc-pVTZ_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
tetrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
tetrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
tetrazine_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
tetrazine_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_TBE_CBS_double.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
tetrazine_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacetone_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacetone_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacetone_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacetone_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacetone_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacetone_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacetone_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacetone_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacetone_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacetone_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacetone_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacetone_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacetone_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacetone_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
thioacetone_CCSD_aug-cc-pVTZ.dat
|
Denis new data
|
2020-10-24 17:29:27 +02:00 |
|
thioacetone_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
thioacetone_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacetone_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacetone_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacetone_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacetone_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacetone_CCSDTQ_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacetone_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacetone_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacetone_FCI_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacetone_NEVPT2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacetone_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
thioacetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
thioacetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
thioacetone_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
thioacetone_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacetone_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacetone_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacrolein_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacrolein_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacrolein_ADC(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacrolein_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacrolein_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacrolein_CCCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacrolein_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacrolein_CCSD(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacrolein_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacrolein_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacrolein_SCS-CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacrolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacrolein_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacrolein_SOS-CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacrolein_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioacrolein_TBE_aug-cc-pVTZ.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
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioformaldehyde_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
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_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
thioformaldehyde_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +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_CCSDTQ_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_CIS(D∞)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioformaldehyde_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioformaldehyde_FCI_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioformaldehyde_FCI_aug-cc-pVTZ.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)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +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
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thioformaldehyde_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiophene_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiophene_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiophene_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiophene_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiophene_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiophene_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiophene_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiophene_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiophene_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiophene_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiophene_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiophene_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiophene_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
thiophene_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiophene_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
thiophene_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiophene_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiophene_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiophene_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiophene_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiophene_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiophene_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiophene_NEVPT2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiophene_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
thiophene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
thiophene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
thiophene_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
thiophene_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiophene_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiophene_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiopropynal_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiopropynal_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiopropynal_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiopropynal_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiopropynal_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiopropynal_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiopropynal_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiopropynal_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiopropynal_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiopropynal_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiopropynal_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiopropynal_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiopropynal_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiopropynal_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
thiopropynal_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiopropynal_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
thiopropynal_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiopropynal_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiopropynal_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiopropynal_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiopropynal_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiopropynal_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiopropynal_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiopropynal_FCI_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiopropynal_NEVPT2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiopropynal_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
thiopropynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
thiopropynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
thiopropynal_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
thiopropynal_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiopropynal_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
thiopropynal_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
triazine_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
triazine_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
triazine_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
triazine_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
triazine_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
triazine_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
triazine_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
triazine_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
triazine_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
triazine_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
triazine_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
triazine_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
triazine_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
triazine_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
triazine_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
triazine_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
triazine_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
triazine_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
triazine_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
triazine_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
triazine_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
triazine_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
triazine_NEVPT2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
triazine_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
triazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
triazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
triazine_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
triazine_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
triazine_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
triazine_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
vinyl_RO-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
vinyl_RO-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
vinyl_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
vinyl_U-CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
vinyl_U-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_ADC(2.5)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_ADC(2.5)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_ADC(2)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_ADC(2)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_ADC(3)_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_ADC(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CC2_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CC2_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CC3_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CC3_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CC3_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CC3_aug-cc-pVTZ_addon.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CC3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CC3_d-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CC3_d-aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CC3_t-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CC3(Full)_aug-cc-pV5Z.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CC3(Full)_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CC3(Full)_d-aug-cc-pV5Z.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CC3(Full)_d-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CC3(Full)_t-aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CCCSDT-3_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
water_CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CCSD(2)_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
water_CCSDR(3)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CCSDT_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CCSDT_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CCSDT_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CCSDT_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CCSDT-3_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CCSDTQ_6-31+G(d).dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CCSDTQ_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CCSDTQ_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CCSDTQP_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CIS(D)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_CIS(D∞)_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_exp.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_FCI_aug-cc-pVDZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_FCI_aug-cc-pVQZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_FCI_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_SCS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
water_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
water_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
water_SOS-CC2_aug-cc-pVTZ.dat
|
Add missing geometry metadata
|
2020-10-27 17:26:26 +01:00 |
|
water_STEOM-CCSD_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_TBE_aug-cc-pVTZ.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
water_TBE(Full)_CBS.dat
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
