srDFT_G2/Big_data/Mixed_core/vdz/data_CC+LDA_ful_vdz

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2019-04-09 14:51:49 +02:00
Be -14.6670327918
BeH -15.2431905455
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C -37.8199644218
C2H2 -77.2536034648
C2H4 -78.5063388768
C2H6 -79.7420475112
CH -38.4469477581
CH2_1A1 -39.0957974576
CH2_3B1 -39.1111682586
CH3 -39.7931657917
CH3Cl -499.848610192
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CH4 -40.7790265996
CN -92.5732725519
CO -113.20255983
CO2 -188.313146072
CS -435.871876483
Cl -459.973687347
Cl2 -919.589046254
ClF -559.850895479
ClO -535.018180315
F -99.9523985392
F2 -199.208615401
H -0.72951810962
H2CO -114.21852437
H2O -76.4160302069
H2O2 -151.302038799
H2S -399.072012381
H3COH -115.734634996
H3CSH -438.23892971
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HCN -93.3427418007
HCO -113.745130228
HCl -460.585661739
HF -100.349637421
HOCl -535.660737039
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Li -7.4782922922
Li2 -14.9953645952
LiF -107.326712198
LiH -8.0664856141
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Mg -199.897883157
N -54.5486101657
N2 -109.439416962
N2H4 -111.753525346
NH -55.171320476
NH2 -55.8210126465
NH3 -56.4976254753
NO -129.77628011
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Na -162.177123239
Na2 -324.381623381
NaCl -622.248019596
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O -75.0012773026
O2 -150.177725434
OH -75.6599267096
P -341.073399372
P2 -682.307856357
PH2 -342.302904125
PH3 -342.936477625
S -397.903573527
S2 -795.946851978
SO -473.066976568
SO2 -548.225397742
Si -289.186543405
Si2 -578.477954327
Si2H6 -582.183474712
2019-04-02 13:36:54 +02:00
SiH2_1A1 -290.414511034
SiH2_3B1 -290.382489173
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SiH3 -291.031621264
SiH4 -291.680851173
SiO -364.458391562