srDFT_G2/Data/data_last/G2_CIPSI_VTZ_PBE.dat

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Be -14.6547092345
BeH -15.2346989398
C -37.8198524069
C2H2 -77.2729785173
C2H4 -78.5253802205
C2H6 -79.7632027515
CH -38.4512837768
CH2_1A1 -39.1041631916
CH2_3B1 -39.1182772683
CH3 -39.8035185851
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CH3Cl -499.935554073
CH4 -40.4821351121
CN -92.661409947
2019-03-13 11:21:30 +01:00
CO -113.248150397
CO2 -188.433008783
CS -435.798660593
Cl -459.839517819
Cl2 -919.596187519
ClF -559.732604949
ClO -535.087657509
F -99.9441923985
F2 -199.949815535
H -0.899242003
H2CO -114.721689223
H2O -76.7193889627
H2O2 -151.429992593
H2S -399.007896793
H3COH -115.697193678
H3CSH -438.315519288
HCN -93.27659274
HCO -113.68378145
HCl -460.442752878
HF -100.443213138
HOCl -535.459926641
Li -7.5097478011
Li2 -15.0566138622
LiF -107.404218842
LiH -8.3462258067
N -54.8241980767
N2 -109.482018192
N2H4 -111.801145942
NH -55.5043413849
NH2 -56.1573897962
NH3 -56.5665419149
NO -129.811334745
Na -161.973254087
Na2 -323.872550077
NaCl -622.017036866
O -75.2998492064
O2 -150.205925846
OH -75.7134191556
P -341.211210757
P2 -682.202926687
PH2 -342.080309945
PH3 -342.716114475
S -397.698952676
S2 -795.508610836
SO -472.909730309
SO2 -548.071027089
Si -288.957370904
Si2 -578.001941074
Si2H6 -581.742063925
SiH2_1A1 -290.216190555
SiH2_3B1 -290.240797822
SiH3 -290.888161662
SiH4 -291.543559415
SiO -364.301721795