| .. |
|
VDZ
|
VDZ and VTZ
|
2019-03-26 11:00:25 +01:00 |
|
VTZ
|
VDZ and VTZ
|
2019-03-26 11:00:25 +01:00 |
|
BeH.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
BeH.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
C2H2.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
C2H2.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
C2H4.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
C2H4.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
C2H6.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
C2H6.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
ccsdt_fc_vdz.template
|
RO
|
2019-03-25 23:26:29 +01:00 |
|
CH.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
CH.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
CH2_1A1.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
CH2_1A1.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
CH2_3B1.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
CH2_3B1.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
CH3.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
CH3.xyz
|
create_ezfio.sh
|
2019-03-25 23:18:37 +01:00 |
|
CH3Cl.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
CH3Cl.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
CH3SH.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
CH3SH.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
CH4.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
CH4.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
CH4O.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
CH4O.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
Cl2.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
Cl2.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
ClF.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
ClF.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
ClO.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
ClO.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
CN.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
CN.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
CO.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
CO.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
CO2.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
CO2.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
create_ezfio.sh
|
create_ezfio.sh
|
2019-03-25 23:18:37 +01:00 |
|
create_input.sh
|
g09 files
|
2019-03-25 22:47:41 +01:00 |
|
CS.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
CS.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
F2.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
F2.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
H2CO.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
H2CO.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
H2O.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
H2O.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
H2O2.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
H2O2.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
H2S.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
H2S.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
H3COH.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
H3COH.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
H3CSH.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
H3CSH.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
HCl.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
HCl.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
HCN.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
HCN.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
HCO.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
HCO.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
HF.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
HF.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
HOCl.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
HOCl.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
Li2.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
Li2.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
LiF.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
LiF.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
LiH.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
LiH.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
N2.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
N2.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
N2H4.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
N2H4.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
Na2.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
Na2.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
NaCl.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
NaCl.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
NH.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
NH.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
NH2.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
NH2.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
NH3.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
NH3.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
NO.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
NO.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
O2.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
O2.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
OH.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
OH.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
P2.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
P2.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
PH2.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
PH2.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
PH3.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
PH3.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
run_g09.sh
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
S2.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
S2.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
Si2.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
Si2.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
Si2H6.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
Si2H6.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
SiH2_1A1.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
SiH2_1A1.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
SiH2_3B1.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
SiH2_3B1.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
SiH3.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
SiH3.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
SiH4.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
SiH4.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
SiO.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
SiO.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
SO.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
SO.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
|
SO2.out
|
g09 output files
|
2019-03-26 09:43:27 +01:00 |
|
SO2.xyz
|
g09 input
|
2019-03-25 22:30:19 +01:00 |
