srDFT_G2/Big_data/Small_core/vtz/data_CC_vtz
2019-03-28 00:30:26 +01:00

69 lines
1.3 KiB
Plaintext

Be -14.623790138
BeH -15.202843607
C -37.789505265
C2H2 -77.218203819
C2H4 -78.470474988
C2H6 -79.707709453
CH -38.421443509
CH2_1A1 -39.07430589
CH2_3B1 -39.091885105
CH3 -39.77663803
CH3Cl -499.61441006
CH4 -40.455011914
CN -92.592526984
CO -113.18049059
CO2 -188.36832234
CS -435.7379497
Cl -459.70281197
Cl2 -919.49048961
ClF -559.42416355
ClO -534.77823144
F -99.63219389
F2 -199.3201331
H -0.499809811302
H2CO -114.36227281
H2O -76.345747048
H2O2 -151.38436654
H2S -398.97032234
H3COH -115.5806161
H3CSH -438.22032214
HCN -93.303509292
HCO -113.71078275
HCl -460.36931959
HF -100.35134022
HOCl -535.43952665
Li -7.4460657819
Li2 -14.930948732
LiF -107.29124771
LiH -8.0366472499
Mg -199.6660607
N -54.524861993
N2 -109.39988962
N2H4 -111.72768877
NH -55.152444992
NH2 -55.806923726
NH3 -56.488209045
NO -129.74213614
Na -161.86981399
Na2 -323.76908346
NaCl -621.72250717
O -74.984935661
O2 -150.15336853
OH -75.649992739
P -340.8601283
P2 -681.88990642
PH2 -342.09864017
PH3 -342.73634834
S -397.68556974
S2 -795.52296882
SO -472.85570051
SO2 -548.03165774
Si -288.98707734
Si2 -578.08943861
Si2H6 -581.81525261
SiH2_1A1 -290.22748478
SiH2_3B1 -290.19514576
SiH3 -290.84459767
SiH4 -291.49745353
SiO -364.26311148