srDFT_G2/Big_data/Large_core/extrap/data_extrap_CC_Q5
2019-04-10 10:33:01 +02:00

69 lines
1.3 KiB
Plaintext

Be -14.6191633356
BeH -15.1990354492
C -37.7895537226
C2H2 -77.221315392
C2H4 -78.4742002981
C2H6 -79.7118208544
CH -38.4232319895
CH2_1A1 -39.0773682499
CH2_3B1 -39.0922236774
CH3 -39.7784761678
CH3Cl -499.625293299
CH4 -40.4575582202
CN -92.6056599948
CO -113.207126403
CO2 -188.419118953
CS -435.736937146
Cl -459.706256934
Cl2 -919.507067528
ClF -559.47485451
ClO -534.814201272
F -99.6691134342
F2 -199.399173375
H -0.499994535159
H2CO -114.389647253
H2O -76.3763396371
H2O2 -151.439094356
H2S -398.967351041
H3COH -115.611245076
H3CSH -438.219936806
HCN -93.3163630239
HCO -113.737842691
HCl -460.377253447
HF -100.394873997
HOCl -535.475946336
Li -7.43272230705
Li2 -14.9038557346
LiF -107.322270988
LiH -8.024673075
Mg -199.648658371
N -54.5303446238
N2 -109.422720095
N2H4 -111.757696325
NH -55.1623924751
NH2 -55.8206001962
NH3 -56.5043657352
NO -129.777536179
Na -161.858638846
Na2 -323.743470188
NaCl -621.723641084
O -75.0053966481
O2 -150.201454875
OH -75.6760371082
P -340.831884681
P2 -681.848115418
PH2 -342.077145252
PH3 -342.716709844
S -397.675163996
S2 -795.514586626
SO -472.879950189
SO2 -548.097248529
Si -288.939923956
Si2 -578.000545256
Si2H6 -581.733312358
SiH2_1A1 -290.184785833
SiH2_3B1 -290.152126716
SiH3 -290.803237912
SiH4 -291.457165572
SiO -364.250469942