srDFT_G2/Ref/Molecules/g09
2019-03-26 11:00:25 +01:00
..
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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