| .. |
|
acetaldehyde_CC3_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
acetaldehyde_CC3_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
acetaldehyde_CCSDT_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
acetaldehyde_CCSDT_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
acetaldehyde_exFCI_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
acetaldehyde_exFCI_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
acetaldehyde_exp.dat
|
Replace method with expermental when is needed
|
2020-01-29 17:20:34 +01:00 |
|
acetaldehyde_TBE_cbs.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
acetaldehyde_TBE(FC)_aug-cc-pVTZ .dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
acetylene_CC3_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
acetylene_CC3_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
acetylene_CCSDT_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
acetylene_CCSDT_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
acetylene_CCSDTQ_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
acetylene_exFCI_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
acetylene_exFCI_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
acetylene_exp.dat
|
Replace method with expermental when is needed
|
2020-01-29 17:20:34 +01:00 |
|
acetylene_TBE_cbs.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
acetylene_TBE(FC)_aug-cc-pVTZ.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_CC3_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_CC3_aug-cc-pVQZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_CC3_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_CCSDT_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_CCSDT_aug-cc-pVQZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_CCSDT_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_CCSDTQ_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_CCSDTQ_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_CCSDTQP_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_exFCI_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_exFCI_aug-cc-pVQZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_exFCI_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_exp.dat
|
Replace method with expermental when is needed
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_TBE_cbs.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_TBE(FC)_aug-cc-pVTZ.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxide_CC3_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxide_CC3_aug-cc-pVQZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxide_CC3_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxide_CCSDT_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxide_CCSDT_aug-cc-pVQZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxide_CCSDT_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxide_CCSDTQ_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxide_CCSDTQ_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxide_CCSDTQP_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxide_exFCI_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxide_exFCI_aug-cc-pVQZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxide_exFCI_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxide_exp.dat
|
Replace method with expermental when is needed
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxyde_TBE_cbs.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxyde_TBE(FC)_aug-cc-pVTZ.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
cyclopropene_CC3_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
cyclopropene_CC3_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
cyclopropene_CCSDT_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
cyclopropene_CCSDT_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
cyclopropene_exFCI_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
cyclopropene_exFCI_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
cyclopropene_exp.dat
|
Replace method with expermental when is needed
|
2020-01-29 17:20:34 +01:00 |
|
cyclopropene_TBE_cbs.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
cyclopropene_TBE(FC)_aug-cc-pVTZ.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
diazomethane_CC3_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
diazomethane_CC3_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
diazomethane_CCSDT_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
diazomethane_CCSDT_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
diazomethane_exFCI_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
diazomethane_exFCI_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
diazomethane_exp.dat
|
Replace method with expermental when is needed
|
2020-01-29 17:20:34 +01:00 |
|
diazomethane_TBE_cbs.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
diazomethane_TBE(FC)_aug-cc-pVTZ.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CC3_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CC3_aug-cc-pVQZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CC3_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CCSDT_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CCSDT_aug-cc-pVQZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CCSDT_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CCSDTQ_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CCSDTQ_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CCSDTQP_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_exFCI_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_exFCI_aug-cc-pVQZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_exFCI_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_exp.dat
|
Replace method with expermental when is needed
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_TBE_cbs.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_TBE(FC)_aug-cc-pVTZ.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CC3_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CC3_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CCSDT_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CCSDT_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CCSDTQ_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_exFCI_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_exFCI_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_exp.dat
|
Replace method with expermental when is needed
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_TBE_cbs.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_TBE(FC)_aug-cc-pVTZ.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
formaldehyde_CC3_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
formaldehyde_CC3_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
formaldehyde_CCSDT_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
formaldehyde_CCSDT_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
formaldehyde_CCSDTQ_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
formaldehyde_exFCI_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
formaldehyde_exFCI_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
formaldehyde_exp.dat
|
Replace method with expermental when is needed
|
2020-01-29 17:20:34 +01:00 |
|
formaldehyde_TBE_cbs.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
formaldehyde_TBE(FC)_aug-cc-pVTZ.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
formamide_CC3_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
formamide_CC3_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
formamide_CCSDT_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
formamide_CCSDT_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
formamide_exFCI_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
formamide_exFCI_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
formamide_exp.dat
|
Replace method with expermental when is needed
|
2020-01-29 17:20:34 +01:00 |
|
formamide_TBE_cbs.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
formamide_TBE(FC)_aug-cc-pVTZ.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_chloride_TBE_cbs.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_chloride_TBE(FC)_aug-cc-pVTZ.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3_aug-cc-pV5Z(Full).dat
|
Add hydrogen sulfide CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3_aug-cc-pVDZ(FC).dat
|
Add hydrogen sulfide CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3_aug-cc-pVQZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3_aug-cc-pVQZ(FC).dat
|
Add hydrogen sulfide CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3_aug-cc-pVQZ(Full).dat
|
Add hydrogen sulfide CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3_aug-cc-pVTZ(FC).dat
|
Add hydrogen sulfide CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3_d-aug-cc-pV5Z(Full).dat
|
Add hydrogen sulfide CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3_d-aug-cc-pVQZ(FC).dat
|
Add hydrogen sulfide CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3_d-aug-cc-pVQZ(Full).dat
|
Add hydrogen sulfide CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3_d-aug-cc-pVTZ(FC).dat
|
Add hydrogen sulfide CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3_t-aug-cc-pVQZ(FC).dat
|
Add hydrogen sulfide CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3_t-aug-cc-pVQZ(Full).dat
|
Add hydrogen sulfide CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CCSDT_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CCSDT_aug-cc-pVQZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CCSDT_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CCSDTQ_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CCSDTQ_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CCSDTQP_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_exFCI_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_exFCI_aug-cc-pVQZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_exFCI_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_exp.dat
|
Replace method with expermental when is needed
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_TBE_cbs.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_TBE(FC)_aug-cc-pVTZ.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
ketene_CC3_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ketene_CC3_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ketene_CCSDT_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ketene_CCSDT_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ketene_exFCI_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ketene_exFCI_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
ketene_exp.dat
|
Replace method with expermental when is needed
|
2020-01-29 17:20:34 +01:00 |
|
ketene_TBE_cbs.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
ketene_TBE(FC)_aug-cc-pVTZ.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
methanimine_CC3_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
methanimine_CC3_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
methanimine_CCSDT_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
methanimine_CCSDT_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
methanimine_CCSDTQ_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
methanimine_exFCI_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
methanimine_exFCI_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
methanimine_TBE_cbs.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
methanimine_TBE(FC).dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
nitrosomethane_CC3_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
nitrosomethane_CC3_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
nitrosomethane_CCSDT_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
nitrosomethane_CCSDT_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
nitrosomethane_exFCI_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
nitrosomethane_exFCI_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
nitrosomethane_exp.dat
|
Replace method with expermental when is needed
|
2020-01-29 17:20:34 +01:00 |
|
nitrosomethane_TBE_cbs.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
nitrosomethane_TBE(FC).dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
streptocyanine-c1_TBE_cbs.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
streptocyanine-c1_TBE(FC).dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_CC3_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_CC3_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_CCSDT_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_CCSDT_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_CCSDTQ_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_exFCI_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_exFCI_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_exp.dat
|
Replace method with expermental when is needed
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_TBE_cbs.dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_TBE(FC).dat
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
water_CC3_aug-cc-pV5Z(Full).dat
|
Add water CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
water_CC3_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
water_CC3_aug-cc-pVDZ(FC).dat
|
Add water CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
water_CC3_aug-cc-pVQZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
water_CC3_aug-cc-pVQZ(FC).dat
|
Add water CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
water_CC3_aug-cc-pVQZ(Full).dat
|
Add water CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
water_CC3_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
water_CC3_aug-cc-pVTZ(FC).dat
|
Add water CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
water_CC3_d-aug-cc-pV5Z(Full).dat
|
Add water CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
water_CC3_d-aug-cc-pVQZ(FC).dat
|
Add water CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
water_CC3_d-aug-cc-pVQZ(Full).dat
|
Add water CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
water_CC3_d-aug-cc-pVTZ(FC).dat
|
Add water CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
water_CC3_t-aug-cc-pVQZ(FC).dat
|
Add water CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
water_CC3_t-aug-cc-pVQZ(Full).dat
|
Add water CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
water_CCSDT_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
water_CCSDT_aug-cc-pVQZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
water_CCSDT_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
water_CCSDTQ_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
water_CCSDTQ_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
water_CCSDTQP_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
water_exFCI_aug-cc-pVDZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
water_exFCI_aug-cc-pVQZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
water_exFCI_aug-cc-pVTZ.dat
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
water_exp.dat
|
Replace method with expermental when is needed
|
2020-01-29 17:20:34 +01:00 |
