srDFT_G2/Big_data/Large_core/vtz/data_HF_5z+ec_vtz
2019-04-12 12:24:44 +02:00

69 lines
1.3 KiB
Plaintext

Be -14.6185644812
BeH -15.1968275113
C -37.7826064179
C2H2 -77.1935659114
C2H4 -78.4452616473
C2H6 -79.6809578133
CH -38.4131414888
CH2_1A1 -39.0647338569
CH2_3B1 -39.0808538797
CH3 -39.7644117249
CH3Cl -499.574494246
CH4 -40.4416210954
CN -92.5748583179
CO -113.165761722
CO2 -188.344814182
CS -435.701623681
Cl -459.675699467
Cl2 -919.437614532
ClF -559.398031222
ClO -534.748565405
F -99.6305417535
F2 -199.316426834
H -0.499994535159
H2CO -114.344886638
H2O -76.3420927535
H2O2 -151.37413399
H2S -398.942036935
H3COH -115.562765824
H3CSH -438.178611912
HCN -93.2826935944
HCO -113.694995777
HCl -460.342772007
HF -100.3507644
HOCl -535.408734692
Li -7.43272230705
Li2 -14.9033851202
LiF -107.276439608
LiH -8.02299537396
Mg -199.648334565
N -54.5180596262
N2 -109.383153152
N2H4 -111.710424314
NH -55.1452894623
NH2 -55.7993812056
NH3 -56.479944157
NO -129.728730888
Na -161.858638846
Na2 -323.743249033
NaCl -621.684456731
O -74.9804422251
O2 -150.143042633
OH -75.6458731486
P -340.823643748
P2 -681.816745386
PH2 -342.062023921
PH3 -342.699224736
S -397.656757488
S2 -795.466082315
SO -472.82680986
SO2 -548.006789481
Si -288.935322627
Si2 -577.984211698
Si2H6 -581.707965593
SiH2_1A1 -290.175431668
SiH2_3B1 -290.143698419
SiH3 -290.792711791
SiH4 -291.444791774
SiO -364.210207554