srDFT_G2/Big_data/Mixed_core/vtz/data_CC+LDA_ful_vtz

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2019-04-09 14:51:49 +02:00
Be -14.6685116699
BeH -15.2481512202
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C -37.8207903811
C2H2 -77.2721155761
C2H4 -78.5248256147
C2H6 -79.7622117035
CH -38.451780632
CH2_1A1 -39.104198016
CH2_3B1 -39.1185646876
CH3 -39.8040405376
CH3Cl -499.88292614
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CH4 -40.7443658217
CN -92.6121233156
CO -113.246556541
CO2 -188.428333728
CS -435.85273767
Cl -459.975987225
Cl2 -919.698222439
ClF -559.925850766
ClO -535.075800636
F -99.9516938185
F2 -199.362747187
H -0.636312010102
H2CO -114.33367415
H2O -76.4344997688
H2O2 -151.420388485
H2S -399.056332689
H3COH -115.813238421
H3CSH -438.273515859
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HCN -93.3670800323
HCO -113.785239158
HCl -460.610476174
HF -100.408626632
HOCl -535.728104344
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Li -7.4792522204
Li2 -14.9972879648
LiF -107.384143786
LiH -8.0713090844
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Mg -199.903988539
N -54.5594959435
N2 -109.472676999
N2H4 -111.802491405
NH -55.1885846077
NH2 -55.8442392523
NH3 -56.5259034202
NO -129.824467421
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Na -162.20624645
Na2 -324.439652444
NaCl -622.30177997
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O -75.0299587082
O2 -150.244445013
OH -75.6969456514
P -341.066439297
P2 -682.306884696
PH2 -342.305209251
PH3 -342.94190673
S -397.912946
S2 -795.978757629
SO -473.129635107
SO2 -548.35196531
Si -289.167756703
Si2 -578.450188318
Si2H6 -582.168592009
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SiH2_1A1 -290.403498381
SiH2_3B1 -290.370141003
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SiH3 -291.022732851
SiH4 -291.674285408
SiO -364.492368332