srDFT_G2/Data/data_very_last/G2_CIPSI_VDZ_LDA.dat

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2019-03-21 22:26:53 +01:00
Be -14.658766593
BeH -15.2343045579
C -37.8197802357
C2H2 -77.2558632862
C2H4 -78.5080295196
C2H6 -79.7427313058
CH -38.4469682716
CH2_1A1 -39.0960663801
CH2_3B1 -39.1113136614
CH3 -39.7933232887
CH3Cl -499.848561738
CH4 -40.4704776092
CN -92.6413902458
CO -113.220580314
CO2 -188.416518428
CS -435.980865249
Cl -459.924207743
Cl2 -919.921258302
ClF -559.63835946
ClO -534.999172545
F -99.6399130183
F2 -199.327836444
H -0.4992784
H2CO -114.394465292
H2O -76.3496289003
H2O2 -151.400150151
H2S -399.178351538
H3COH -115.603939958
H3CSH -438.446320042
HCN -93.3447538671
HCO -113.744401485
HCl -460.585938855
HF -100.34971208
HOCl -535.661261894
Li -7.4690951363
Li2 -14.9761041743
LiF -107.315649485
LiH -8.0564849727
N -54.5483093861
N2 -109.441137303
N2H4 -111.749645242
NH -55.1710744638
NH2 -55.8209226652
NH3 -56.4976888071
NO -129.778137319
Na -162.101506736
Na2 -324.229152288
NaCl -622.172646582
O -75.0009900162
O2 -150.18017386
OH -75.6598853258
P -341.073920951
P2 -682.310511476
PH2 -342.303528221
PH3 -342.937277483
S -397.903901408
S2 -795.948371624
SO -473.067849879
SO2 -548.22937956
Si -289.186928742
Si2 -578.479072925
Si2H6 -582.183648524
SiH2_1A1 -290.419227991
SiH2_3B1 -290.386510203
SiH3 -291.031907081
SiH4 -291.681378888
SiO -364.458879274