srDFT_G2/Data/data_very_last/G2_HF_VDZ_LDA.dat
2019-03-21 22:26:53 +01:00

68 lines
1.3 KiB
Plaintext

Be -14.6585406247
BeH -15.2343774652
C -37.8201412348
C2H2 -77.2557285337
C2H4 -78.5080730944
C2H6 -79.7430245512
CH -38.4473666095
CH2_1A1 -39.0964886879
CH2_3B1 -39.1115613682
CH3 -39.7936005486
CH3Cl -499.84894777
CH4 -40.4706229754
CN -92.641098214
CO -113.220826408
CO2 -188.417049881
CS -435.980925699
Cl -459.924356974
Cl2 -919.921357266
ClF -559.63867001
ClO -534.999389168
F -99.6402657211
F2 -199.328206883
H -0.4992784
H2CO -114.394991265
H2O -76.35004945
H2O2 -151.400760271
H2S -399.17843002
H3COH -115.604486076
H3CSH -438.446599171
HCN -93.3446308764
HCO -113.744872778
HCl -460.586079218
HF -100.350156676
HOCl -535.661641538
Li -7.469096581
Li2 -14.9761436226
LiF -107.31667099
LiH -8.056644061
N -54.5485362096
N2 -109.440755463
N2H4 -111.750095098
NH -55.171519061
NH2 -55.8213076104
NH3 -56.497966614
NO -129.778153703
Na -162.101627237
Na2 -324.22941437
NaCl -622.1731679
O -75.0013560725
O2 -150.180173734
OH -75.6603310832
P -341.073726652
P2 -682.310180477
PH2 -342.303624443
PH3 -342.937273498
S -397.903954807
S2 -795.948068792
SO -473.067817578
SO2 -548.229586891
Si -289.187020267
Si2 -578.478430313
Si2H6 -582.184026673
SiH2_1A1 -290.419314593
SiH2_3B1 -290.386288326
SiH3 -291.031844358
SiH4 -291.681413419
SiO -364.459789775