srDFT_G2/Data/data_last/G2_HF_VTZ_LDA.dat
2019-03-21 17:42:05 +01:00

68 lines
1.3 KiB
Plaintext

Be -14.6566068819
BeH -15.2364628057
C -37.8211386934
C2H2 -77.2734952087
C2H4 -78.526190418
C2H6 -79.7641170533
CH -38.4524756051
CH2_1A1 -39.1054547849
CH2_3B1 -39.119009304
CH3 -39.8046221017
CH3Cl -499.882600342
CH4 -40.4834064391
CN -92.6609372418
CO -113.257849243
CO2 -188.489212629
CS -435.99906584
Cl -459.944149748
Cl2 -919.975432023
ClF -559.722705438
ClO -535.067725412
F -99.6875685473
F2 -199.433982112
H -0.49980981
H2CO -114.437230077
H2O -76.3945453691
H2O2 -151.479509411
H2S -399.198986819
H3COH -115.655771785
H3CSH -438.475782934
HCN -93.3685562945
HCO -113.784855016
HCl -460.611540612
HF -100.409009377
HOCl -535.729777972
Li -7.4713093384
Li2 -14.9816036961
LiF -107.375814188
LiH -8.0634310249
N -54.5596166993
N2 -109.474210926
N2H4 -111.798373263
NH -55.1890657572
NH2 -55.8447867424
NH3 -56.5264726535
NO -129.826042578
Na -162.104759098
Na2 -324.236980638
NaCl -622.201489356
O -75.0301778277
O2 -150.246415875
OH -75.6974324991
P -341.067286237
P2 -682.313358692
PH2 -342.306496773
PH3 -342.943047117
S -397.91381629
S2 -795.987561808
SO -473.131253102
SO2 -548.353747729
Si -289.168586944
Si2 -578.449635327
Si2H6 -582.171290876
SiH2_1A1 -290.408443669
SiH2_3B1 -290.374690481
SiH3 -291.023266535
SiH4 -291.675110293
SiO -364.493927957