srDFT_G2/Big_data/Mixed_core/extrap/data_extrap_CC_Q5
2019-04-05 16:55:56 +02:00

69 lines
1.3 KiB
Plaintext

Be -14.6527610999
BeH -15.2368108487
C -37.7895539199
C2H2 -77.2213157517
C2H4 -78.4742006822
C2H6 -79.7118212656
CH -38.4232321853
CH2_1A1 -39.0773684579
CH2_3B1 -39.0922238723
CH3 -39.7784763793
CH3Cl -499.625293604
CH4 -40.4575584336
CN -92.6056602627
CO -113.20712694
CO2 -188.419119845
CS -435.736937384
Cl -459.706257012
Cl2 -919.507067563
ClF -559.474854599
ClO -534.814201628
F -99.6691134878
F2 -199.399173493
H -0.499994535159
H2CO -114.389647704
H2O -76.3763399354
H2O2 -151.439094912
H2S -398.967351054
H3COH -115.611245586
H3CSH -438.219937032
HCN -93.3163632255
HCO -113.737843126
HCl -460.377253525
HF -100.394874046
HOCl -535.475946693
Li -7.47045504297
Li2 -14.9800299187
LiF -107.364289503
LiH -8.06490402717
Mg -199.61549212
N -54.5303446407
N2 -109.422720089
N2H4 -111.757696369
NH -55.1623924851
NH2 -55.8206001906
NH3 -56.5043657465
NO -129.777536533
Na -162.051506744
Na2 -324.13497985
NaCl -621.922236927
O -75.0053969211
O2 -150.20145537
OH -75.6760374041
P -340.831884726
P2 -681.848115566
PH2 -342.077145322
PH3 -342.716709923
S -397.675164017
S2 -795.514586718
SO -472.879950511
SO2 -548.097249179
Si -288.93992397
Si2 -578.000545599
Si2H6 -581.733312343
SiH2_1A1 -290.184834516
SiH2_3B1 -290.152164333
SiH3 -290.803237913
SiH4 -291.457165566
SiO -364.250470217