srDFT_G2/Big_data/Small_core/vdz/data_CC+PBE_ful_vdz

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2019-03-28 00:30:26 +01:00
Be -14.6547566354
BeH -15.2300587419
C -37.8170739381
C2H2 -77.2582489361
C2H4 -78.5107080767
C2H6 -79.7462375548
CH -38.4459248392
CH2_1A1 -39.0962303183
CH2_3B1 -39.110569227
CH3 -39.7941840699
CH3Cl -499.921290905
CH4 -40.4722310645
CN -92.6441143378
CO -113.230863367
CO2 -188.437038443
CS -436.045361832
Cl -459.992456388
Cl2 -920.061662122
ClF -559.722432012
ClO -535.077050521
F -99.6516388803
F2 -199.353177494
H -0.49927840342
H2CO -114.404916307
H2O -76.3584708572
H2O2 -151.417913223
H2S -399.243521978
H3COH -115.615880083
H3CSH -438.513289059
HCN -93.3503745793
HCO -113.755635011
HCl -460.656071482
HF -100.36371737
HOCl -535.740006104
Li -7.4657074109
Li2 -14.9687869694
LiF -107.325183863
LiH -8.0521009602
Mg -199.934321462
N -54.546785273
N2 -109.450301835
N2H4 -111.7636117
NH -55.1723142021
NH2 -55.8242617154
NH3 -56.5026027685
NO -129.789216183
Na -162.132745985
Na2 -324.29111598
NaCl -622.272736804
O -75.0054878231
O2 -150.192730769
OH -75.6667848148
P -341.128118524
P2 -682.424997725
PH2 -342.360261951
PH3 -342.995009872
S -397.964462663
S2 -796.073839775
SO -473.138799708
SO2 -548.310897655
Si -289.236508062
Si2 -578.58123339
Si2H6 -582.289163609
SiH2_1A1 -290.466416218
SiH2_3B1 -290.433963242
SiH3 -291.083280709
SiH4 -291.733271519
SiO -364.519752367