srDFT_G2/G09/Large_core/Molecules/vqz
2019-04-01 09:40:22 +02:00
..
BeH.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
BeH.out LC VQZ G2 2019-04-01 09:40:22 +02:00
BeH.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
C2H2.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
C2H2.out LC VQZ G2 2019-04-01 09:40:22 +02:00
C2H2.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
C2H4.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
C2H4.out LC VQZ G2 2019-04-01 09:40:22 +02:00
C2H4.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
C2H6.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
C2H6.out LC VQZ G2 2019-04-01 09:40:22 +02:00
C2H6.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
ccsdt_fc_vqz.template LC VQZ G2 2019-04-01 09:40:22 +02:00
CH2_1A1.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
CH2_1A1.out LC VQZ G2 2019-04-01 09:40:22 +02:00
CH2_1A1.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
CH2_3B1.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
CH2_3B1.out LC VQZ G2 2019-04-01 09:40:22 +02:00
CH2_3B1.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
CH3.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
CH3.out LC VQZ G2 2019-04-01 09:40:22 +02:00
CH3.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
CH3Cl.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
CH3Cl.out LC VQZ G2 2019-04-01 09:40:22 +02:00
CH3Cl.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
CH3SH.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
CH3SH.out LC VQZ G2 2019-04-01 09:40:22 +02:00
CH3SH.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
CH4.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
CH4.out LC VQZ G2 2019-04-01 09:40:22 +02:00
CH4.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
CH4O.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
CH4O.out LC VQZ G2 2019-04-01 09:40:22 +02:00
CH4O.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
CH.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
CH.out LC VQZ G2 2019-04-01 09:40:22 +02:00
CH.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
Cl2.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
Cl2.out LC VQZ G2 2019-04-01 09:40:22 +02:00
Cl2.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
ClF.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
ClF.out LC VQZ G2 2019-04-01 09:40:22 +02:00
ClF.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
ClO.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
ClO.out LC VQZ G2 2019-04-01 09:40:22 +02:00
ClO.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
CN.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
CN.out LC VQZ G2 2019-04-01 09:40:22 +02:00
CN.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
CO2.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
CO2.out LC VQZ G2 2019-04-01 09:40:22 +02:00
CO2.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
CO.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
CO.out LC VQZ G2 2019-04-01 09:40:22 +02:00
CO.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
create_ezfio.sh LC VQZ G2 2019-04-01 09:40:22 +02:00
create_input.sh LC VQZ G2 2019-04-01 09:40:22 +02:00
CS.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
CS.out LC VQZ G2 2019-04-01 09:40:22 +02:00
CS.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
F2.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
F2.out LC VQZ G2 2019-04-01 09:40:22 +02:00
F2.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
H2CO.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
H2CO.out LC VQZ G2 2019-04-01 09:40:22 +02:00
H2CO.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
H2O2.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
H2O2.out LC VQZ G2 2019-04-01 09:40:22 +02:00
H2O2.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
H2O.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
H2O.out LC VQZ G2 2019-04-01 09:40:22 +02:00
H2O.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
H2S.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
H2S.out LC VQZ G2 2019-04-01 09:40:22 +02:00
H2S.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
H3COH.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
H3COH.out LC VQZ G2 2019-04-01 09:40:22 +02:00
H3COH.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
H3CSH.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
H3CSH.out LC VQZ G2 2019-04-01 09:40:22 +02:00
H3CSH.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
HCl.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
HCl.out LC VQZ G2 2019-04-01 09:40:22 +02:00
HCl.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
HCN.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
HCN.out LC VQZ G2 2019-04-01 09:40:22 +02:00
HCN.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
HCO.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
HCO.out LC VQZ G2 2019-04-01 09:40:22 +02:00
HCO.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
HF.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
HF.out LC VQZ G2 2019-04-01 09:40:22 +02:00
HF.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
HOCl.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
HOCl.out LC VQZ G2 2019-04-01 09:40:22 +02:00
HOCl.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
Li2.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
Li2.out LC VQZ G2 2019-04-01 09:40:22 +02:00
Li2.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
LiF.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
LiF.out LC VQZ G2 2019-04-01 09:40:22 +02:00
LiF.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
LiH.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
LiH.out LC VQZ G2 2019-04-01 09:40:22 +02:00
LiH.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
N2.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
N2.out LC VQZ G2 2019-04-01 09:40:22 +02:00
N2.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
N2H4.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
N2H4.out LC VQZ G2 2019-04-01 09:40:22 +02:00
N2H4.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
Na2.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
Na2.out LC VQZ G2 2019-04-01 09:40:22 +02:00
Na2.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
NaCl.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
NaCl.out LC VQZ G2 2019-04-01 09:40:22 +02:00
NaCl.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
NH2.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
NH2.out LC VQZ G2 2019-04-01 09:40:22 +02:00
NH2.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
NH3.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
NH3.out LC VQZ G2 2019-04-01 09:40:22 +02:00
NH3.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
NH.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
NH.out LC VQZ G2 2019-04-01 09:40:22 +02:00
NH.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
NO.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
NO.out LC VQZ G2 2019-04-01 09:40:22 +02:00
NO.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
O2.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
O2.out LC VQZ G2 2019-04-01 09:40:22 +02:00
O2.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
OH.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
OH.out LC VQZ G2 2019-04-01 09:40:22 +02:00
OH.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
P2.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
P2.out LC VQZ G2 2019-04-01 09:40:22 +02:00
P2.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
PH2.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
PH2.out LC VQZ G2 2019-04-01 09:40:22 +02:00
PH2.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
PH3.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
PH3.out LC VQZ G2 2019-04-01 09:40:22 +02:00
PH3.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
run_g09.sh LC VQZ G2 2019-04-01 09:40:22 +02:00
S2.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
S2.out LC VQZ G2 2019-04-01 09:40:22 +02:00
S2.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
Si2.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
Si2.out LC VQZ G2 2019-04-01 09:40:22 +02:00
Si2.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
Si2H6.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
Si2H6.out LC VQZ G2 2019-04-01 09:40:22 +02:00
Si2H6.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
SiH2_1A1.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
SiH2_1A1.out LC VQZ G2 2019-04-01 09:40:22 +02:00
SiH2_1A1.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
SiH2_3B1.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
SiH2_3B1.out LC VQZ G2 2019-04-01 09:40:22 +02:00
SiH2_3B1.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
SiH3.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
SiH3.out LC VQZ G2 2019-04-01 09:40:22 +02:00
SiH3.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
SiH4.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
SiH4.out LC VQZ G2 2019-04-01 09:40:22 +02:00
SiH4.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
SiO.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
SiO.out LC VQZ G2 2019-04-01 09:40:22 +02:00
SiO.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
slurm-42176.out LC VQZ G2 2019-04-01 09:40:22 +02:00
SO2.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
SO2.out LC VQZ G2 2019-04-01 09:40:22 +02:00
SO2.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00
SO.inp LC VQZ G2 2019-04-01 09:40:22 +02:00
SO.out LC VQZ G2 2019-04-01 09:40:22 +02:00
SO.xyz LC VQZ G2 2019-04-01 09:40:22 +02:00