srDFT_G2/Data/G2_cc-pVTZ.dat

68 lines
1.5 KiB
Plaintext

Be -14.62380792
BeH -15.20308441
C -37.7810206
C2H2 -77.18883518
C2H4 -78.44007967
C2H6 -79.67630304
CH -38.41102845
CH2_1A1 -39.06254161
CH2_3B1 -39.07822853
CH3 -39.76151658
CH3Cl -499.56566900
CH4 -40.43863394
CN -92.5699303
CO -113.15667075
CO2 -188.32915488
CS -435.69480669
Cl -459.67254947
Cl2 -919.42921917
ClF -559.38115561
ClO -534.73620817
F -99.62048161
F2 -199.29758048
H -0.49980981
H2CO -114.33494314
H2O -76.33264288
H2O2 -151.35859879
H2S -398.93650299
H3COH -115.5511273
H3CSH -438.16945291
HCN -93.27659274
HCO -113.68378145
HCl -460.3382695
HF -100.33872976
HOCl -535.39624742
Li -7.44606858
Li2 -14.93107413
LiF -107.27867911
LiH -8.03671476
N -54.51468703
N2 -109.37539664
N2H4 -111.69452439
NH -55.14104826
NH2 -55.79409667
NH3 -56.4737212
NO -129.71851403
Na -161.86983034
Na2 -323.76912633
NaCl -621.69126301
O -74.97407535
O2 -150.13064236
OH -75.63813567
P -340.82179911
P2 -681.81351504
PH2 -342.05778624
PH3 -342.69359077
S -397.65413283
S2 -795.46379099
SO -472.81122658
SO2 -547.97252336
Si -288.93386799
Si2 -577.97843816
Si2H6 -581.69750121
SiH2_1A1 -290.17162784
SiH2_3B1 -290.13965157
SiH3 -290.78701541
SiH4 -291.43818631
SiO -364.19634869