srDFT_G2/Big_data/Small_core/vtz/data_CC+LDA_val_vtz

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2019-03-28 00:30:26 +01:00
Be -14.6565890978
BeH -15.2362237609
C -37.7977222662
C2H2 -77.246770887
C2H4 -78.5010569385
C2H6 -79.7407889522
CH -38.432752425
CH2_1A1 -39.0882233932
CH2_3B1 -39.1039180954
CH3 -39.7918485343
CH3Cl -499.663700787
CH4 -40.4725050269
CN -92.6235744609
CO -113.22101458
CO2 -188.438927414
CS -435.77333899
Cl -459.733148397
Cl2 -919.555584485
ClF -559.493682804
ClO -534.837606249
F -99.6672352871
F2 -199.393366775
H -0.499809811302
H2CO -114.406054866
H2O -76.3771453612
H2O2 -151.443765783
H2S -398.995114909
H3COH -115.627363033
H3CSH -438.261392883
HCN -93.3373886704
HCO -113.752339025
HCl -460.402282789
HF -100.390391799
HOCl -535.501728037
Li -7.4713065405
Li2 -14.9815014356
LiF -107.357067436
LiH -8.0633701183
Mg -199.862556215
N -54.537436443
N2 -109.43859337
N2H4 -111.772983679
NH -55.1694840377
NH2 -55.8276371296
NH3 -56.5119322351
NO -129.788337033
Na -162.063397678
Na2 -324.154163636
NaCl -621.951096298
O -75.0087544567
O2 -150.206771921
OH -75.6780145222
P -340.87016526
P2 -681.921859154
PH2 -342.114247329
PH3 -342.753987668
S -397.705297212
S2 -795.569053059
SO -472.90568292
SO2 -548.113719666
Si -288.993347771
Si2 -578.106734743
Si2H6 -581.840969554
SiH2_1A1 -290.236183091
SiH2_3B1 -290.202734814
SiH3 -290.855608924
SiH4 -291.510575039
SiO -364.30202978