srDFT_G2/Big_data/vtz/data_CC_vtz
2019-03-27 12:32:10 +01:00

69 lines
1.3 KiB
Plaintext

Be -14.618427014
BeH -15.195686182
C -37.780672288
C2H2 -77.187424777
C2H4 -78.438651809
C2H6 -79.674403076
CH -38.410308029
CH2_1A1 -39.061274557
CH2_3B1 -39.077790529
CH3 -39.760940464
CH3Cl -499.56590421
CH4 -40.43807905
CN -92.56738168
CO -113.15552855
CO2 -188.32717173
CS -435.69269106
Cl -459.67175706
Cl2 -919.42662216
ClF -559.37982069
ClO -534.73433032
F -99.620306531
F2 -199.29566025
H -0.499809811302
H2CO -114.33367415
H2O -76.33220144
H2O2 -151.35850867
H2S -398.93538128
H3COH -115.5507083
H3CSH -438.16891028
HCN -93.275068419
HCO -113.6840405
HCl -460.33719189
HF -100.33835076
HOCl -535.39466875
Li -7.43267885824
Li2 -14.903171909
LiF -107.26353496
LiH -8.0223156578
Mg -199.64707698
N -54.514566274
N2 -109.37387164
N2H4 -111.69862476
NH -55.140575957
NH2 -55.793569123
NH3 -56.473175905
NO -129.71694091
Na -161.857995939
Na2 -323.74184885
NaCl -621.67841032
O -74.973856232
O2 -150.12866633
OH -75.637659905
P -340.82095217
P2 -681.807061
PH2 -342.05649591
PH3 -342.69244896
S -397.65326254
S2 -795.45520243
SO -472.80969666
SO2 -547.97085254
Si -288.93303775
Si2 -577.97799428
Si2H6 -581.69482092
SiH2_1A1 -290.17069717
SiH2_3B1 -290.13876207
SiH3 -290.78647253
SiH4 -291.43734995
SiO -364.19480876