srDFT_G2/Big_data/Mixed_core/vtz/data_CC+PBE_val_vtz

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2019-04-09 14:51:49 +02:00
Be -14.6685605053
BeH -15.24786822
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C -37.7871657685
C2H2 -77.2133682863
C2H4 -78.4662376589
C2H6 -79.7040295728
CH -38.4200317979
CH2_1A1 -39.0735934937
CH2_3B1 -39.0880341341
CH3 -39.7743452205
CH3Cl -499.611004262
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CH4 -40.4747232145
CN -92.5829813437
CO -113.184307809
CO2 -188.366529681
CS -435.761748028
Cl -459.70371367
Cl2 -919.454125956
ClF -559.439967166
ClO -534.802384009
F -99.6765469183
F2 -199.331199754
H -0.574993774902
H2CO -114.33367415
H2O -76.3742329724
H2O2 -151.389101568
H2S -398.993467033
H3COH -115.572614978
H3CSH -438.213371338
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HCN -93.3066885007
HCO -113.723964507
HCl -460.36748364
HF -100.378244319
HOCl -535.453744815
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Li -7.4792774788
Li2 -14.9971437364
LiF -107.353206229
LiH -8.0708768733
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Mg -199.91447826
N -54.5247953983
N2 -109.410798056
N2H4 -111.740843972
NH -55.1556004325
NH2 -55.8124716415
NH3 -56.4951553971
NO -129.761569182
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Na -162.1840041
Na2 -324.395235231
NaCl -622.036043114
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O -74.9962083081
O2 -150.180471415
OH -75.6646482093
P -340.828435149
P2 -681.834831794
PH2 -342.069521909
PH3 -342.707442804
S -397.669917591
S2 -795.496119447
SO -472.856431427
SO2 -548.050155508
Si -288.937597939
Si2 -577.991999252
Si2H6 -581.71636488
2019-04-02 13:36:54 +02:00
SiH2_1A1 -290.177781503
SiH2_3B1 -290.144712424
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SiH3 -290.795429838
SiH4 -291.44825893
SiO -364.231443471