srDFT_G2/G09/Molecules/VDZ
2019-03-27 11:25:55 +01:00
..
BeH.inp CCSD(T) 2019-03-27 11:25:55 +01:00
BeH.out CCSD(T) 2019-03-27 11:25:55 +01:00
BeH.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
C2H2.inp CCSD(T) 2019-03-27 11:25:55 +01:00
C2H2.out CCSD(T) 2019-03-27 11:25:55 +01:00
C2H2.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
C2H4.inp CCSD(T) 2019-03-27 11:25:55 +01:00
C2H4.out CCSD(T) 2019-03-27 11:25:55 +01:00
C2H4.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
C2H6.inp CCSD(T) 2019-03-27 11:25:55 +01:00
C2H6.out CCSD(T) 2019-03-27 11:25:55 +01:00
C2H6.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
ccsdt_fc_vdz.template CCSD(T) 2019-03-27 11:25:55 +01:00
CH2_1A1.inp CCSD(T) 2019-03-27 11:25:55 +01:00
CH2_1A1.out CCSD(T) 2019-03-27 11:25:55 +01:00
CH2_1A1.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
CH2_3B1.inp CCSD(T) 2019-03-27 11:25:55 +01:00
CH2_3B1.out CCSD(T) 2019-03-27 11:25:55 +01:00
CH2_3B1.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
CH3.inp CCSD(T) 2019-03-27 11:25:55 +01:00
CH3.out CCSD(T) 2019-03-27 11:25:55 +01:00
CH3.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
CH3Cl.inp CCSD(T) 2019-03-27 11:25:55 +01:00
CH3Cl.out CCSD(T) 2019-03-27 11:25:55 +01:00
CH3Cl.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
CH3SH.inp CCSD(T) 2019-03-27 11:25:55 +01:00
CH3SH.out CCSD(T) 2019-03-27 11:25:55 +01:00
CH3SH.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
CH4.inp CCSD(T) 2019-03-27 11:25:55 +01:00
CH4.out CCSD(T) 2019-03-27 11:25:55 +01:00
CH4.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
CH4O.inp CCSD(T) 2019-03-27 11:25:55 +01:00
CH4O.out CCSD(T) 2019-03-27 11:25:55 +01:00
CH4O.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
CH.inp CCSD(T) 2019-03-27 11:25:55 +01:00
CH.out CCSD(T) 2019-03-27 11:25:55 +01:00
CH.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
Cl2.inp CCSD(T) 2019-03-27 11:25:55 +01:00
Cl2.out CCSD(T) 2019-03-27 11:25:55 +01:00
Cl2.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
ClF.inp CCSD(T) 2019-03-27 11:25:55 +01:00
ClF.out CCSD(T) 2019-03-27 11:25:55 +01:00
ClF.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
ClO.inp CCSD(T) 2019-03-27 11:25:55 +01:00
ClO.out CCSD(T) 2019-03-27 11:25:55 +01:00
ClO.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
CN.inp CCSD(T) 2019-03-27 11:25:55 +01:00
CN.out CCSD(T) 2019-03-27 11:25:55 +01:00
CN.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
CO2.inp CCSD(T) 2019-03-27 11:25:55 +01:00
CO2.out CCSD(T) 2019-03-27 11:25:55 +01:00
CO2.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
CO.inp CCSD(T) 2019-03-27 11:25:55 +01:00
CO.out CCSD(T) 2019-03-27 11:25:55 +01:00
CO.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
create_ezfio.sh CCSD(T) 2019-03-27 11:25:55 +01:00
create_input.sh CCSD(T) 2019-03-27 11:25:55 +01:00
CS.inp CCSD(T) 2019-03-27 11:25:55 +01:00
CS.out CCSD(T) 2019-03-27 11:25:55 +01:00
CS.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
F2.inp CCSD(T) 2019-03-27 11:25:55 +01:00
F2.out CCSD(T) 2019-03-27 11:25:55 +01:00
F2.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
H2CO.inp CCSD(T) 2019-03-27 11:25:55 +01:00
H2CO.out CCSD(T) 2019-03-27 11:25:55 +01:00
H2CO.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
H2O2.inp CCSD(T) 2019-03-27 11:25:55 +01:00
H2O2.out CCSD(T) 2019-03-27 11:25:55 +01:00
H2O2.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
H2O.inp CCSD(T) 2019-03-27 11:25:55 +01:00
H2O.out CCSD(T) 2019-03-27 11:25:55 +01:00
H2O.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
H2S.inp CCSD(T) 2019-03-27 11:25:55 +01:00
H2S.out CCSD(T) 2019-03-27 11:25:55 +01:00
H2S.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
H3COH.inp CCSD(T) 2019-03-27 11:25:55 +01:00
H3COH.out CCSD(T) 2019-03-27 11:25:55 +01:00
H3COH.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
H3CSH.inp CCSD(T) 2019-03-27 11:25:55 +01:00
H3CSH.out CCSD(T) 2019-03-27 11:25:55 +01:00
H3CSH.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
HCl.inp CCSD(T) 2019-03-27 11:25:55 +01:00
HCl.out CCSD(T) 2019-03-27 11:25:55 +01:00
HCl.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
HCN.inp CCSD(T) 2019-03-27 11:25:55 +01:00
HCN.out CCSD(T) 2019-03-27 11:25:55 +01:00
HCN.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
HCO.inp CCSD(T) 2019-03-27 11:25:55 +01:00
HCO.out CCSD(T) 2019-03-27 11:25:55 +01:00
HCO.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
HF.inp CCSD(T) 2019-03-27 11:25:55 +01:00
HF.out CCSD(T) 2019-03-27 11:25:55 +01:00
HF.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
HOCl.inp CCSD(T) 2019-03-27 11:25:55 +01:00
HOCl.out CCSD(T) 2019-03-27 11:25:55 +01:00
HOCl.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
Li2.inp CCSD(T) 2019-03-27 11:25:55 +01:00
Li2.out CCSD(T) 2019-03-27 11:25:55 +01:00
Li2.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
LiF.inp CCSD(T) 2019-03-27 11:25:55 +01:00
LiF.out CCSD(T) 2019-03-27 11:25:55 +01:00
LiF.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
LiH.inp CCSD(T) 2019-03-27 11:25:55 +01:00
LiH.out CCSD(T) 2019-03-27 11:25:55 +01:00
LiH.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
N2.inp CCSD(T) 2019-03-27 11:25:55 +01:00
N2.out CCSD(T) 2019-03-27 11:25:55 +01:00
N2.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
N2H4.inp CCSD(T) 2019-03-27 11:25:55 +01:00
N2H4.out CCSD(T) 2019-03-27 11:25:55 +01:00
N2H4.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
Na2.inp CCSD(T) 2019-03-27 11:25:55 +01:00
Na2.out CCSD(T) 2019-03-27 11:25:55 +01:00
Na2.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
NaCl.inp CCSD(T) 2019-03-27 11:25:55 +01:00
NaCl.out CCSD(T) 2019-03-27 11:25:55 +01:00
NaCl.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
NH2.inp CCSD(T) 2019-03-27 11:25:55 +01:00
NH2.out CCSD(T) 2019-03-27 11:25:55 +01:00
NH2.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
NH3.inp CCSD(T) 2019-03-27 11:25:55 +01:00
NH3.out CCSD(T) 2019-03-27 11:25:55 +01:00
NH3.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
NH.inp CCSD(T) 2019-03-27 11:25:55 +01:00
NH.out CCSD(T) 2019-03-27 11:25:55 +01:00
NH.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
NO.inp CCSD(T) 2019-03-27 11:25:55 +01:00
NO.out CCSD(T) 2019-03-27 11:25:55 +01:00
NO.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
O2.inp CCSD(T) 2019-03-27 11:25:55 +01:00
O2.out CCSD(T) 2019-03-27 11:25:55 +01:00
O2.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
OH.inp CCSD(T) 2019-03-27 11:25:55 +01:00
OH.out CCSD(T) 2019-03-27 11:25:55 +01:00
OH.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
P2.inp CCSD(T) 2019-03-27 11:25:55 +01:00
P2.out CCSD(T) 2019-03-27 11:25:55 +01:00
P2.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
PH2.inp CCSD(T) 2019-03-27 11:25:55 +01:00
PH2.out CCSD(T) 2019-03-27 11:25:55 +01:00
PH2.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
PH3.inp CCSD(T) 2019-03-27 11:25:55 +01:00
PH3.out CCSD(T) 2019-03-27 11:25:55 +01:00
PH3.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
run_g09.sh CCSD(T) 2019-03-27 11:25:55 +01:00
S2.inp CCSD(T) 2019-03-27 11:25:55 +01:00
S2.out CCSD(T) 2019-03-27 11:25:55 +01:00
S2.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
Si2.inp CCSD(T) 2019-03-27 11:25:55 +01:00
Si2.out CCSD(T) 2019-03-27 11:25:55 +01:00
Si2.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
Si2H6.inp CCSD(T) 2019-03-27 11:25:55 +01:00
Si2H6.out CCSD(T) 2019-03-27 11:25:55 +01:00
Si2H6.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
SiH2_1A1.inp CCSD(T) 2019-03-27 11:25:55 +01:00
SiH2_1A1.out CCSD(T) 2019-03-27 11:25:55 +01:00
SiH2_1A1.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
SiH2_3B1.inp CCSD(T) 2019-03-27 11:25:55 +01:00
SiH2_3B1.out CCSD(T) 2019-03-27 11:25:55 +01:00
SiH2_3B1.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
SiH3.inp CCSD(T) 2019-03-27 11:25:55 +01:00
SiH3.out CCSD(T) 2019-03-27 11:25:55 +01:00
SiH3.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
SiH4.inp CCSD(T) 2019-03-27 11:25:55 +01:00
SiH4.out CCSD(T) 2019-03-27 11:25:55 +01:00
SiH4.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
SiO.inp CCSD(T) 2019-03-27 11:25:55 +01:00
SiO.out CCSD(T) 2019-03-27 11:25:55 +01:00
SiO.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
SO2.inp CCSD(T) 2019-03-27 11:25:55 +01:00
SO2.out CCSD(T) 2019-03-27 11:25:55 +01:00
SO2.xyz CCSD(T) 2019-03-27 11:25:55 +01:00
SO.inp CCSD(T) 2019-03-27 11:25:55 +01:00
SO.out CCSD(T) 2019-03-27 11:25:55 +01:00
SO.xyz CCSD(T) 2019-03-27 11:25:55 +01:00