srDFT_G2/G09/data_HF_vdz_g09
2019-03-27 11:46:26 +01:00

69 lines
1.3 KiB
Plaintext

Be -14.5723376310
BeH -15.1494410529
C -37.6824178815
C2H2 -76.8259233629
C2H4 -78.0400754939
C2H6 -79.2349063082
CH -38.2686899031
CH2_1A1 -38.8807881466
CH2_3B1 -38.9214314737
CH3 -39.5596342594
CH3Cl -499.117796154
CH4 -40.1987088666
CN -92.1964327314
CO -112.749022634
CO2 -187.650554012
CS -435.329516174
Cl -459.467180438
Cl2 -918.960946061
ClF -558.844108818
ClO -534.251125842
F -99.3718619401
F2 -198.687594974
H -0.499278403420
H2CO -113.876455008
H2O -76.0265262687
H2O2 -150.784210559
H2S -398.694559396
H3COH -115.049117052
H3CSH -437.725534429
HCN -92.8833943535
HCO -113.253525917
HCl -460.089423421
HF -100.019312518
HOCl -534.872707056
Li -7.43241987968
Li2 -14.8698209829
LiF -106.945122949
LiH -7.98368349655
Mg -199.608296959
N -54.3884142370
N2 -108.953974619
N2H4 -111.186052245
NH -54.9594292312
NH2 -55.5626036604
NH3 -56.1955077685
NO -129.253576814
Na -161.853026642
Na2 -323.704056379
NaCl -621.433617551
O -74.7875130746
O2 -149.608298930
OH -75.3898114897
P -340.709013984
P2 -681.465696773
PH2 -341.867485182
PH3 -342.470343938
S -397.492839610
S2 -795.049335221
SO -472.332518694
SO2 -547.178616963
Si -288.846436796
Si2 -577.756319584
Si2H6 -581.339074077
SiH2_1A1 -290.018350426
SiH2_3B1 -290.009753270
SiH3 -290.623621842
SiH4 -291.242888037
SiO -363.789870034