srDFT_G2/Big_data/Mixed_core/vtz/data_HF_vtz_g09
2019-04-09 14:51:49 +02:00

69 lines
1.3 KiB
Plaintext

BeH -15.1524026359
C2H2 -76.8497451593
C2H4 -78.0637981585
C2H6 -79.2595545398
CH -38.2766759531
CH2_1A1 -38.8917442758
CH2_3B1 -38.9320398031
CH3 -39.5728452023
CH3Cl -499.147538456
CH4 -40.2132149128
CN -92.2179193957
CO -112.780014938
CO2 -187.706597478
CS -435.352385868
Cl2 -918.998334741
ClF -558.900122361
ClO -534.296487509
F2 -198.754873468
H2CO -113.911797007
H2O -76.0567455313
H2O2 -150.836094251
H2S -398.712782062
H3COH -115.088921072
H3CSH -437.756243637
HCN -92.9082451344
HCO -113.286702635
HCl -460.106681304
HF -100.057890899
HOCl -534.918793658
Li2 -14.8716637609
LiF -106.980961754
LiH -7.98683279636
N2 -108.983253708
N2H4 -111.223609225
NH -54.9732793879
NH2 -55.5806435313
NH3 -56.2173595670
NO -129.288918187
Na2 -323.714736958
NaCl -621.454444747
O2 -149.652797894
OH -75.4141840338
P2 -681.489576996
PH2 -341.881329608
PH3 -342.487162587
S2 -795.081006697
SO -472.384509583
SO2 -547.285618713
Si2 -577.773725037
Si2H6 -581.370850734
SiH2_1A1 -290.030181359
SiH2_3B1 -290.021645441
SiH3 -290.638696702
SiH4 -291.260546456
SiO -363.838708411
Be -14.5728734831
Cl -459.479836512
C -37.6867080510
F -99.4009352589
H -0.499809811302
Li -7.43267926828
Mg -199.613347406
Na -161.857997021
N -54.3973578376
O -74.8056444139
P -340.715983797
Si -288.852151488
S -397.503612308