srDFT_G2/Data_DFT/data_HF_vtz
2019-03-27 11:09:04 +01:00

56 lines
1.3 KiB
Plaintext

BeH -15.15206343502708
C2H2 -76.84974522333661
C2H4 -78.06379821004553
C2H6 -79.25955458416693
CH -38.27667596679590
CH2_1A1 -38.89174430413944
CH2_3B1 -38.93203982527262
CH3 -39.57284524401498
CH3Cl -499.1475385042579
CH3SH -437.7562436496634
CH4 -40.21321494661727
CN -92.21791957830477
CO -112.7800150875000
CO2 -187.7065977685389
CS -435.3523858921484
Cl2 -918.9983349505171
ClF -558.5315030386964
ClO -534.2964876399504
F2 -198.7548734618071
H2CO -113.9117970698719
H2O -76.05674561035146
H2O2 -150.8360942994446
H2S -398.7127820525490
H3COH -115.0889211523879
HCN -92.90824524729561
HCO -113.2867026835059
HCl -460.1066813309198
HF -100.0578909663864
HOCl -534.9187937925880
Li2 -14.87158417233550
LiF -106.9801204660351
LiH -7.986647754419305
N2 -108.9832538669589
N2H4 -111.2236093061437
NH -54.97327941489279
NH2 -55.58064355849948
NH3 -56.21735962068936
NO -129.2889183157608
Na2 -323.7145598827865
NaCl -621.4535390473015
O2 -149.6527978586321
OH -75.41418409285936
P2 -681.4895770486576
PH2 -341.8813296277357
PH3 -342.4871626164872
S2 -795.0810068096927
SO -472.3845097372063
SO2 -547.2856189439703
Si2 -577.7737250529183
Si2H6 -581.3708507653093
SiH2_1A1 -290.0303049379488
SiH2_3B1 -290.0217333471965
SiH3 -290.6386967179791
SiH4 -291.2605464697609
SiO -363.8387084740871