srDFT_G2/Big_data/Small_core/vdz/data_CC+LDA_val_vdz

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2019-03-28 00:30:26 +01:00
Be -14.6585367019
BeH -15.2341631887
C -37.7799460997
C2H2 -77.1785550799
C2H4 -78.4316810646
C2H6 -79.6681952545
CH -38.4080129729
CH2_1A1 -39.0576845121
CH2_3B1 -39.0729108048
CH3 -39.7558591013
CH3Cl -499.550446112
CH4 -40.4335852239
CN -92.560756276
CO -113.141862569
CO2 -188.298660364
CS -435.6835691
Cl -459.661869672
Cl2 -919.397722524
ClF -559.336866157
ClO -534.697773347
F -99.5998611677
F2 -199.246377623
H -0.49927840342
H2CO -114.316603431
H2O -76.3102485592
H2O2 -151.321635677
H2S -398.923521655
H3COH -115.528289028
H3CSH -438.153580163
HCN -93.2661588992
HCO -113.66762539
HCl -460.324974709
HF -100.309792543
HOCl -535.360042947
Li -7.4690972535
Li2 -14.9761774069
LiF -107.276194805
LiH -8.0566869146
Mg -199.856082685
N -54.5078444596
N2 -109.361217497
N2H4 -111.67676909
NH -55.131600082
NH2 -55.7821887495
NH3 -56.4595349876
NO -129.6974238
Na -162.059382352
Na2 -324.144663085
NaCl -621.869389023
O -74.9606910008
O2 -150.098139567
OH -75.6201249915
P -340.817463985
P2 -681.800225026
PH2 -342.050132067
PH3 -342.685212208
S -397.64474826
S2 -795.431444492
SO -472.770285528
SO2 -547.892163472
Si -288.93336639
Si2 -577.974114516
Si2H6 -581.686086441
SiH2_1A1 -290.165032205
SiH2_3B1 -290.132719441
SiH3 -290.781821079
SiH4 -291.432394629
SiO -364.167752667