srDFT_G2/Ref/Molecules
2019-03-26 14:26:07 +01:00
..
g09 VDZ and VTZ 2019-03-26 11:00:25 +01:00
atomization_energies added all z matrix format 2019-03-25 22:12:44 +01:00
BeH.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
C2H2.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
C2H4.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
C2H6.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
CH2_1A1.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
CH2_3B1.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
CH3.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
CH3Cl.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
CH3SH.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
CH4.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
CH4O.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
CH.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
Cl2.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
ClF.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
ClO.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
CN.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
CO2.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
CO.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
CS.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
F2.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
H2CO.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
H2O2.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
H2O.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
H2S.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
H3COH.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
H3CSH.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
HCl.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
HCN.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
HCO.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
HF.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
HOCl.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
Li2.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
LiF.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
LiH.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
list_molecules added atoms 2019-03-25 22:17:20 +01:00
N2.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
N2H4.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
Na2.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
NaCl.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
NH2.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
NH3.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
NH.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
NO.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
O2.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
OH.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
P2.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
PH2.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
PH3.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
qp_create_ezfio_from_g09_zmat updated qp_create_ezfio_from_g09_zmat 2019-03-26 14:26:07 +01:00
S2.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
Si2.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
Si2H6.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
SiH2_1A1.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
SiH2_3B1.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
SiH3.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
SiH4.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
SiO.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
SO2.xyz added all z matrix format 2019-03-25 22:12:44 +01:00
SO.xyz added all z matrix format 2019-03-25 22:12:44 +01:00