srDFT_G2/Data_DFT/VDZ/G2_cc-pvdz.dat
2019-03-24 11:44:16 +01:00

68 lines
1.5 KiB
Plaintext

Be -14.61741101
BeH -15.18923334
C -37.76050114
C2H2 -77.1109468
C2H4 -78.35649991
C2H6 -79.5834817
CH -38.38025056
CH2_1A1 -39.02292896
CH2_3B1 -39.04192746
CH3 -39.71633284
CH3Cl -499.44091892
CH4 -40.38755496
CN -92.49316793
CO -113.05534345
CO2 -188.149784
CS -435.60599183
Cl -459.59921683
Cl2 -919.26412521
ClF -559.19444863
ClO -534.57426372
F -99.52770333
F2 -199.09818574
H -0.4992784
H2CO -114.22021595
H2O -76.24165057
H2O2 -151.19382739
H2S -398.8641923
H3COH -115.42044081
H3CSH -438.05482386
HCN -93.19016189
HCO -113.57564188
HCl -460.25501712
HF -100.22866223
HOCl -535.22969696
Li -7.43263686
Li2 -14.90139263
LiF -107.15596609
LiH -8.01472826
N -54.47835898
N2 -109.27677437
N2H4 -111.56718685
NH -55.09157748
NH2 -55.73304031
NH3 -56.4026668
NO -129.59990735
Na -161.85420851
Na2 -323.73377653
NaCl -621.59018413
O -74.90996889
O2 -149.98775604
OH -75.55967664
P -340.79165231
P2 -681.72627866
PH2 -342.00929124
PH3 -342.63840859
S -397.60087998
S2 -795.33180604
SO -472.6631306
SO2 -547.72059833
Si -288.91550937
Si2 -577.92881827
Si2H6 -581.6110694
SiH2_1A1 -290.13799899
SiH2_3B1 -290.10837062
SiH3 -290.74828195
SiH4 -291.39324391
SiO -364.08184458