srDFT_G2/Big_data/Small_core/vdz/data_CC_vdz
2019-03-28 00:30:26 +01:00

69 lines
1.3 KiB
Plaintext

Be -14.617407091
BeH -15.189023417
C -37.761544865
C2H2 -77.113273948
C2H4 -78.359380237
C2H6 -79.587822404
CH -38.381408096
CH2_1A1 -39.024241464
CH2_3B1 -39.043435391
CH3 -39.718327584
CH3Cl -499.44799043
CH4 -40.390005577
CN -92.494026424
CO -113.05825014
CO2 -188.15391479
CS -435.61242502
Cl -459.60393548
Cl2 -919.27447645
ClF -559.20124066
ClO -534.58133325
F -99.529318723
F2 -199.09979892
H -0.49927840342
H2CO -114.22281266
H2O -76.243286487
H2O2 -151.19763241
H2S -398.87177732
H3COH -115.42509734
H3CSH -438.06400707
HCN -93.192342839
HCO -113.57990137
HCl -460.26022714
HF -100.23009882
HOCl -535.23635025
Li -7.4326375328
Li2 -14.901426259
LiF -107.15720651
LiH -8.0147734794
Mg -199.64469782
N -54.479943912
N2 -109.27927631
N2H4 -111.57502844
NH -55.093207953
NH2 -55.734925923
NH3 -56.404875439
NO -129.60178664
Na -161.85421262
Na2 -323.7333739
NaCl -621.59508922
O -74.911545036
O2 -149.9890392
OH -75.561179481
P -340.79689897
P2 -681.73663802
PH2 -342.01531772
PH3 -342.64502313
S -397.60600156
S2 -795.34268648
SO -472.67053718
SO2 -547.72771997
Si -288.92017927
Si2 -577.93847477
Si2H6 -581.62508454
SiH2_1A1 -290.14353545
SiH2_3B1 -290.11369338
SiH3 -290.75475036
SiH4 -291.39979115
SiO -364.0885635