srDFT_G2/Data/data_very_last/G2_HF_VTZ_PBE.dat

68 lines
1.3 KiB
Plaintext
Raw Normal View History

2019-03-21 22:26:53 +01:00
Be -14.6563385787
BeH -15.2362787372
C -37.8221890382
C2H2 -77.2771610743
C2H4 -78.529464852
C2H6 -79.7669857283
CH -38.4539578622
CH2_1A1 -39.107021202
CH2_3B1 -39.1203391535
CH3 -39.8059006355
CH3Cl -499.951784389
CH4 -40.484596743
CN -92.6665151676
CO -113.26622533
CO2 -188.503818427
CS -436.063208817
Cl -460.011354965
Cl2 -920.110817016
ClF -559.799238803
ClO -535.140916939
F -99.6957824997
F2 -199.4514394
H -0.49980981
H2CO -114.445001401
H2O -76.4001139437
H2O2 -151.490770546
H2S -399.260638172
H3COH -115.662977872
H3CSH -438.539031788
HCN -93.3743034266
HCO -113.792640298
HCl -460.679046846
HF -100.417783428
HOCl -535.803090684
Li -7.469927089
Li2 -14.9787374974
LiF -107.382708505
LiH -8.0618338064
N -54.5615786814
N2 -109.481934783
N2H4 -111.805023156
NH -55.1916679511
NH2 -55.8477498644
NH3 -56.5295952951
NO -129.8354185
Na -162.138980707
Na2 -324.305758253
NaCl -622.302681941
O -75.0346863727
O2 -150.257211855
OH -75.702606031
P -341.123323842
P2 -682.426719839
PH2 -342.362841467
PH3 -342.999500313
S -397.974918846
S2 -796.11104887
SO -473.198533019
SO2 -548.428021035
Si -289.219370343
Si2 -578.55106368
Si2H6 -582.273361844
SiH2_1A1 -290.459375604
SiH2_3B1 -290.425667827
SiH3 -291.074303227
SiH4 -291.726100458
SiO -364.550675051