srDFT_G2/Big_data/Large_core/vtz/data_HF_5z+ec+LDA_val_vtz
2019-04-12 12:24:44 +02:00

69 lines
1.3 KiB
Plaintext

Be -14.6197274881
BeH -15.1995563146
C -37.7908234191
C2H2 -77.2221329794
C2H4 -78.4758435978
C2H6 -79.7140373125
CH -38.4244504048
CH2_1A1 -39.0786513601
CH2_3B1 -39.0928868701
CH3 -39.7796222292
CH3Cl -499.623784973
CH4 -40.4591142083
CN -92.6059057948
CO -113.206285712
CO2 -188.415419256
CS -435.737012971
Cl -459.706035894
Cl2 -919.502709407
ClF -559.467550476
ClO -534.807940214
F -99.6655831506
F2 -199.389660509
H -0.499994535159
H2CO -114.388668694
H2O -76.3734910667
H2O2 -151.433533233
H2S -398.966829504
H3COH -115.609512757
H3CSH -438.219682655
HCN -93.3165729728
HCO -113.736552052
HCl -460.375735206
HF -100.389815979
HOCl -535.470936079
Li -7.43272230705
Li2 -14.9040579145
LiF -107.317292147
LiH -8.02486613066
Mg -199.84483008
N -54.5306340762
N2 -109.421856902
N2H4 -111.755719223
NH -55.162328508
NH2 -55.8200946092
NH3 -56.5036673471
NO -129.774931781
Na -161.858638846
Na2 -323.743713681
NaCl -621.720021655
O -75.0042610208
O2 -150.196446024
OH -75.6738949318
P -340.833680708
P2 -681.84869812
PH2 -342.07763108
PH3 -342.716864064
S -397.676484959
S2 -795.512166554
SO -472.87679227
SO2 -548.088851407
Si -288.941593058
Si2 -578.001507831
Si2H6 -581.733682537
SiH2_1A1 -290.184129979
SiH2_3B1 -290.151287473
SiH3 -290.803723046
SiH4 -291.457913283
SiO -364.249125853