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QUESTDB_website/static/data/fluo
History
Mickaël Véril 48afa4a343 Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
..
acetylene_ADC(2)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_ADC(3)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_CC2_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_CC3_6-31+G(d).dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_CC3_aug-cc-pVDZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_CC3_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_CC3(FC)_aug-cc-pVDZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_CC3(FC)_aug-cc-pVQZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_CC3(FC)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_CC3(FC)_d-aug-cc-pVQZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_CC3(Full)_aug-cc-pV5Z.dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_CC3(Full)_aug-cc-pVQZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_CC3(Full)_d-aug-cc-pV5Z.dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_CC3(Full)_d-aug-cc-pVQZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_CCSD_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_CCSDR(3)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_CCSDT_6-31+G(d).dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_CCSDT_aug-cc-pVDZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_CCSDT_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_CCSDT-3_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_CCSDTQ_6-31+G(d).dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_CCSDTQ_aug-cc-pVDZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_CCSDTQ_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_CIS(D)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_CIS(D∞)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_exFCI_aug-cc-pVDZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_exFCI_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_STEOM-CCSD_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_TBE_CBS.dat
Fix initial state
2020-05-22 15:27:35 +02:00
acetylene_TBE(FC)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
cyanoacetylene_ADC(2)_aug-cc-pVTZ.dat
Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
cyanoacetylene_CC2_aug-cc-pVTZ.dat
Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
cyanoacetylene_CC3_6-31+G(d).dat
Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
cyanoacetylene_CC3_aug-cc-pVDZ.dat
Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
cyanoacetylene_CC3_aug-cc-pVQZ.dat
Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
cyanoacetylene_CC3_aug-cc-pVTZ.dat
Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
cyanoacetylene_CC3(FC)_6-31+G(d).dat
Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
cyanoacetylene_CC3(FC)_aug-cc-pVDZ.dat
Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
cyanoacetylene_CC3(FC)_aug-cc-pVQZ.dat
Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
cyanoacetylene_CC3(FC)_aug-cc-pVTZ.dat
Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
cyanoacetylene_CC3(Full)_aug-cc-pVQZ.dat
Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
cyanoacetylene_CCSD_aug-cc-pVTZ.dat
Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
cyanoacetylene_CCSDR(3)_aug-cc-pVTZ.dat
Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
cyanoacetylene_CCSDT_6-31+G(d).dat
Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
cyanoacetylene_CCSDT_aug-cc-pVDZ.dat
Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
cyanoacetylene_CCSDT_aug-cc-pVTZ.dat
Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
cyanoacetylene_CCSDT-3_aug-cc-pVTZ.dat
Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
cyanoacetylene_CCSDTQ_6-31+G(d).dat
Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
cyanoacetylene_CCSDTQ_aug-cc-pVDZ.dat
Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
cyanoacetylene_CIS(D)_aug-cc-pVTZ.dat
Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
cyanoacetylene_FCI_6-31+G(d).dat
Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
cyanoacetylene_FCI_aug-cc-pVDZ.dat
Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
cyanoacetylene_NEVPT2_aug-cc-pVTZ.dat
Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
cyanoacetylene_STEOM-CCSD_aug-cc-pVTZ.dat
Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
cyanoacetylene_TBE.dat
Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
cyanoacetylene_TBE(FC).dat
Fix cyanoacetylene
2020-05-27 17:24:44 +02:00
cyanogen_ADC(2)_aug-cc-pVTZ.dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_CC2_aug-cc-pVTZ.dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_CC3_6-31+G(d).dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_CC3_aug-cc-pV5Z.dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_CC3_aug-cc-pVDZ.dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_CC3_aug-cc-pVQZ.dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_CC3_aug-cc-pVTZ.dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_CC3(FC)_6-31+G(d).dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_CC3(FC)_aug-cc-pV5Z.dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_CC3(FC)_aug-cc-pVDZ.dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_CC3(FC)_aug-cc-pVQZ.dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_CC3(FC)_aug-cc-pVTZ.dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_CC3(FC)_d-aug-cc-pVQZ.dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_CC3(Full)_aug-cc-pVQZ.dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_CC3(Full)_d-aug-cc-pVQZ.dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_CCSD_aug-cc-pVTZ.dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_CCSDR(3)_aug-cc-pVTZ.dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_CCSDT_6-31+G(d).dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_CCSDT_aug-cc-pVDZ.dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_CCSDT_aug-cc-pVTZ.dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_CCSDT-3_aug-cc-pVTZ.dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_CCSDTQ_6-31+G(d).dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_CCSDTQ_aug-cc-pVDZ.dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_CIS(D)_aug-cc-pVTZ.dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_FCI_6-31+G(d).dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_FCI_aug-cc-pVDZ.dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_STEOM-CCSD_aug-cc-pVTZ.dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_TBE.dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
cyanogen_TBE(FC).dat
Fix Sigma initial states
2020-05-27 10:00:13 +02:00
diazomethane_ADC(2)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
diazomethane_ADC(3)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
diazomethane_CC2_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
diazomethane_CC3_6-31+G(d).dat
Fix initial state
2020-05-22 15:27:35 +02:00
diazomethane_CC3_aug-cc-pVDZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
diazomethane_CC3_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
diazomethane_CC3(FC)_aug-cc-pVDZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
diazomethane_CC3(FC)_aug-cc-pVQZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
diazomethane_CC3(FC)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
diazomethane_CC3(Full)_aug-cc-pVQZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
diazomethane_CC3(Full)_d-aug-cc-pVQZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
diazomethane_CCSD_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
diazomethane_CCSDR(3)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
diazomethane_CCSDT_6-31+G(d).dat
Fix initial state
2020-05-22 15:27:35 +02:00
diazomethane_CCSDT_aug-cc-pVDZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
diazomethane_CCSDT_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
diazomethane_CCSDT-3_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
diazomethane_CIS(D)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
diazomethane_CIS(D∞)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
diazomethane_exFCI_aug-cc-pVDZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
diazomethane_exFCI_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
diazomethane_STEOM-CCSD_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
diazomethane_TBE_CBS.dat
Fix initial state
2020-05-22 15:27:35 +02:00
diazomethane_TBE(FC)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_ADC(2)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_ADC(3)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_CC2_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_CC3_6-31+G(d).dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_CC3_aug-cc-pVDZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_CC3_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_CC3(FC)_aug-cc-pVDZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_CC3(FC)_aug-cc-pVQZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_CC3(FC)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_CC3(Full)_aug-cc-pV5Z.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_CC3(Full)_aug-cc-pVQZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_CC3(Full)_d-aug-cc-pV5Z.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_CC3(Full)_d-aug-cc-pVQZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_CCSD_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_CCSDR(3)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_CCSDT_6-31+G(d).dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_CCSDT_aug-cc-pVDZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_CCSDT_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_CCSDT-3_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_CCSDTQ_6-31+G(d).dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_CCSDTQ_aug-cc-pVDZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_CCSDTQ_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_CIS(D)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_CIS(D∞)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_exFCI_aug-cc-pVDZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_exFCI_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_TBE_CBS.dat
Fix initial state
2020-05-22 15:27:35 +02:00
formaldehyde_TBE(FC)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
ketene_ADC(2)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
ketene_ADC(3)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
ketene_CC2_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
ketene_CC3_6-31+G(d).dat
Fix initial state
2020-05-22 15:27:35 +02:00
ketene_CC3_aug-cc-pVDZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
ketene_CC3_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
ketene_CC3(FC)_aug-cc-pVDZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
ketene_CC3(FC)_aug-cc-pVQZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
ketene_CC3(FC)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
ketene_CC3(Full)_aug-cc-pVQZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
ketene_CC3(Full)_d-aug-cc-pVQZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
ketene_CCSD_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
ketene_CCSDR(3)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
ketene_CCSDT_6-31+G(d).dat
Fix initial state
2020-05-22 15:27:35 +02:00
ketene_CCSDT_aug-cc-pVDZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
ketene_CCSDT_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
ketene_CCSDT-3_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
ketene_CIS(D)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
ketene_CIS(D∞)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
ketene_exFCI_aug-cc-pVDZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
ketene_exFCI_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
ketene_STEOM-CCSD_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
ketene_TBE_CBS.dat
Fix initial state
2020-05-22 15:27:35 +02:00
ketene_TBE(FC)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
nitrosomethane_ADC(2)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
nitrosomethane_ADC(3)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
nitrosomethane_CC2_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
nitrosomethane_CC3_6-31+G(d).dat
Fix initial state
2020-05-22 15:27:35 +02:00
nitrosomethane_CC3_aug-cc-pVDZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
nitrosomethane_CC3_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
nitrosomethane_CC3(FC)_aug-cc-pVDZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
nitrosomethane_CC3(FC)_aug-cc-pVQZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
nitrosomethane_CC3(FC)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
nitrosomethane_CC3(Full)_aug-cc-pVQZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
nitrosomethane_CCSD_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
nitrosomethane_CCSDR(3)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
nitrosomethane_CCSDT_6-31+G(d).dat
Fix initial state
2020-05-22 15:27:35 +02:00
nitrosomethane_CCSDT_aug-cc-pVDZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
nitrosomethane_CCSDT_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
nitrosomethane_CCSDT-3_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
nitrosomethane_CIS(D)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
nitrosomethane_CIS(D∞)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
nitrosomethane_exFCI_aug-cc-pVDZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
nitrosomethane_exFCI_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
nitrosomethane_STEOM-CCSD_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
nitrosomethane_TBE_CBS.dat
Fix initial state
2020-05-22 15:27:35 +02:00
nitrosomethane_TBE(FC)_aug-cc-pVTZ.dat
Fix initial state
2020-05-22 15:27:35 +02:00
thioformaldehyde_ADC(2)_aug-cc-pVTZ.dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_ADC(3)_aug-cc-pVTZ.dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_CC2_aug-cc-pVTZ.dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_CC3_6-31+G(d).dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_CC3_aug-cc-pVDZ.dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_CC3_aug-cc-pVTZ.dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_CC3(FC)_aug-cc-pVDZ.dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_CC3(FC)_aug-cc-pVQZ.dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_CC3(FC)_aug-cc-pVTZ.dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_CC3(Full)_aug-cc-pV5Z.dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_CC3(Full)_aug-cc-pVQZ.dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_CC3(Full)_d-aug-cc-pVQZ.dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_CCSD_aug-cc-pVTZ.dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_CCSDR(3)_aug-cc-pVTZ.dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_CCSDT_6-31+G(d).dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_CCSDT_aug-cc-pVDZ.dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_CCSDT_aug-cc-pVTZ.dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_CCSDT-3_aug-cc-pVTZ.dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_CCSDTQ_6-31+G(d).dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_CCSDTQ_aug-cc-pVDZ.dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_CCSDTQ_aug-cc-pVTZ.dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_CIS(D)_aug-cc-pVTZ.dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_CIS(D∞)_aug-cc-pVTZ.dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_exFCI_aug-cc-pVDZ.dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_exFCI_aug-cc-pVTZ.dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_TBE_CBS.dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00
thioformaldehyde_TBE(FC)_aug-cc-pVTZ.dat
Fix first symmetry alignment
2020-03-27 14:35:01 +01:00