srDFT_G2/G09/Molecules/vtz
2019-03-27 11:46:26 +01:00
..
BeH.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
BeH.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
BeH.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
C2H2.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
C2H2.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
C2H2.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
C2H4.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
C2H4.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
C2H4.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
C2H6.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
C2H6.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
C2H6.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
ccsdt_fc_vtz.template produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CH2_1A1.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CH2_1A1.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CH2_1A1.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CH2_3B1.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CH2_3B1.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CH2_3B1.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CH3.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CH3.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CH3.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CH3Cl.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CH3Cl.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CH3Cl.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CH3SH.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CH3SH.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CH3SH.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CH4.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CH4.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CH4.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CH4O.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CH4O.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CH4O.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CH.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CH.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CH.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
Cl2.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
Cl2.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
Cl2.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
ClF.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
ClF.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
ClF.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
ClO.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
ClO.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
ClO.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CN.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CN.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CN.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CO2.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CO2.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CO2.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CO.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CO.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CO.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
create_ezfio.sh produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
create_input.sh produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CS.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CS.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
CS.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
F2.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
F2.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
F2.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
H2CO.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
H2CO.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
H2CO.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
H2O2.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
H2O2.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
H2O2.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
H2O.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
H2O.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
H2O.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
H2S.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
H2S.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
H2S.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
H3COH.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
H3COH.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
H3COH.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
H3CSH.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
H3CSH.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
H3CSH.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
HCl.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
HCl.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
HCl.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
HCN.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
HCN.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
HCN.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
HCO.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
HCO.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
HCO.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
HF.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
HF.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
HF.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
HOCl.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
HOCl.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
HOCl.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
Li2.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
Li2.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
Li2.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
LiF.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
LiF.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
LiF.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
LiH.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
LiH.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
LiH.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
N2.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
N2.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
N2.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
N2H4.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
N2H4.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
N2H4.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
Na2.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
Na2.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
Na2.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
NaCl.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
NaCl.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
NaCl.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
NH2.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
NH2.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
NH2.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
NH3.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
NH3.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
NH3.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
NH.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
NH.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
NH.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
NO.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
NO.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
NO.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
O2.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
O2.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
O2.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
OH.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
OH.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
OH.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
P2.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
P2.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
P2.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
PH2.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
PH2.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
PH2.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
PH3.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
PH3.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
PH3.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
run_g09.sh produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
S2.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
S2.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
S2.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
Si2.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
Si2.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
Si2.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
Si2H6.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
Si2H6.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
Si2H6.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
SiH2_1A1.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
SiH2_1A1.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
SiH2_1A1.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
SiH2_3B1.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
SiH2_3B1.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
SiH2_3B1.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
SiH3.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
SiH3.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
SiH3.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
SiH4.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
SiH4.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
SiH4.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
SiO.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
SiO.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
SiO.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
slurm-41552.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
SO2.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
SO2.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
SO2.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
SO.inp produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
SO.out produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
SO.xyz produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00