| .. |
|
acetylene_CC3_aug-cc-pVTZ.dat
|
Fix # Number Spin Symm comment
|
2019-11-17 17:43:01 +01:00 |
|
acetylene_CCSDT_aug-cc-pVTZ.dat
|
Fix # Number Spin Symm comment
|
2019-11-17 17:43:01 +01:00 |
|
acetylene_CCSDTQ_aug-cc-pVDZ.dat
|
Fix # Number Spin Symm comment
|
2019-11-17 17:43:01 +01:00 |
|
acetylene_exFCI_aug-cc-pVDZ.dat
|
Fix # Number Spin Symm comment
|
2019-11-17 17:43:01 +01:00 |
|
acetylene_exFCI_aug-cc-pVTZ.dat
|
Fix # Number Spin Symm comment
|
2019-11-17 17:43:01 +01:00 |
|
acetylene_TBE-corr.dat
|
Move files on the right place
|
2020-01-29 17:20:34 +01:00 |
|
acetylene_TBE.dat
|
Move files on the right place
|
2020-01-29 17:20:34 +01:00 |
|
diazomethane_TBE-corr.dat
|
Move files on the right place
|
2020-01-29 17:20:34 +01:00 |
|
diazomethane_TBE.dat
|
Move files on the right place
|
2020-01-29 17:20:34 +01:00 |
|
formaldehyde_CC3_aug-cc-pVTZ.dat
|
Fix # Number Spin Symm comment
|
2019-11-17 17:43:01 +01:00 |
|
formaldehyde_CCSDT_aug-cc-pVTZ.dat
|
Fix # Number Spin Symm comment
|
2019-11-17 17:43:01 +01:00 |
|
formaldehyde_CCSDTQ_aug-cc-pVDZ.dat
|
Fix # Number Spin Symm comment
|
2019-11-17 17:43:01 +01:00 |
|
formaldehyde_exFCI_aug-cc-pVDZ.dat
|
Fix # Number Spin Symm comment
|
2019-11-17 17:43:01 +01:00 |
|
formaldehyde_exFCI_aug-cc-pVTZ.dat
|
Fix # Number Spin Symm comment
|
2019-11-17 17:43:01 +01:00 |
|
formaldehyde_TBE-corr.dat
|
Move files on the right place
|
2020-01-29 17:20:34 +01:00 |
|
formaldehyde_TBE.dat
|
Move files on the right place
|
2020-01-29 17:20:34 +01:00 |
|
ketene_TBE-corr.dat
|
Move files on the right place
|
2020-01-29 17:20:34 +01:00 |
|
ketene_TBE.dat
|
Move files on the right place
|
2020-01-29 17:20:34 +01:00 |
|
nitrosomethane_TBE-corr.dat
|
Move files on the right place
|
2020-01-29 17:20:34 +01:00 |
|
nitrosomethane_TBE.dat
|
Move files on the right place
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_CC3_aug-cc-pVTZ.dat
|
Add thioformaldehyde data
|
2019-11-18 11:47:07 +01:00 |
|
thioformaldehyde_CCSDT_aug-cc-pVTZ.dat
|
Add thioformaldehyde data
|
2019-11-18 11:47:07 +01:00 |
|
thioformaldehyde_CCSDTQ_aug-cc-pVDZ.dat
|
Add thioformaldehyde data
|
2019-11-18 11:47:07 +01:00 |
|
thioformaldehyde_exFCI_aug-cc-pVDZ.dat
|
Add thioformaldehyde data
|
2019-11-18 11:47:07 +01:00 |
|
thioformaldehyde_exFCI_aug-cc-pVTZ.dat
|
Add thioformaldehyde data
|
2019-11-18 11:47:07 +01:00 |
|
thioformaldehyde_TBE-corr.dat
|
Move files on the right place
|
2020-01-29 17:20:34 +01:00 |
|
thioformaldehyde_TBE.dat
|
Move files on the right place
|
2020-01-29 17:20:34 +01:00 |
