srDFT_G2/Big_data/Large_core/vqz/data_HF_vqz_g09
2019-04-09 16:37:44 +02:00

69 lines
1.3 KiB
Plaintext

Be -14.5729680887
BeH -15.1530586561
C -37.6882982133
C2H2 -76.8547694185
C2H4 -78.0690739126
C2H6 -79.2647765432
CH -38.2789458981
CH2_1A1 -38.8944827373
CH2_3B1 -38.9344873301
CH3 -39.5755866163
CH3Cl -499.154327809
CH4 -40.2160189855
CN -92.2241923890
CO -112.788485682
CO2 -187.720994643
CS -435.359169203
Cl -459.483237180
Cl2 -919.006810421
ClF -558.914212603
ClO -534.307297509
F -99.4089518009
F2 -198.771140754
H -0.499945568583
H2CO -113.920797665
H2O -76.0643858470
H2O2 -150.848390371
H2S -398.717732363
H3COH -115.098398154
H3CSH -437.763602519
HCN -92.9145652836
HCO -113.295540679
HCl -460.111065983
HF -100.067559272
HOCl -534.929667132
Li -7.43269512830
Li2 -14.8717288551
LiF -106.990662525
LiH -7.98718094862
Mg -199.614232889
N -54.4001758826
N2 -108.990857991
N2H4 -111.232836051
NH -54.9770069894
NH2 -55.5851659656
NH3 -56.2225361861
NO -129.298404896
Na -161.858676410
Na2 -323.715944437
NaCl -621.458495757
O -74.8108432950
O2 -149.664216374
OH -75.4206033808
P -340.718334671
P2 -681.496943950
PH2 -341.885504842
PH3 -342.492094937
S -397.506630709
S2 -795.089081822
SO -472.397041436
SO2 -547.310486557
Si -288.854107063
Si2 -577.778589221
Si2H6 -581.380512618
SiH2_1A1 -290.033709154
SiH2_3B1 -290.025484583
SiH3 -290.643381704
SiH4 -291.265998816
SiO -363.850307683