srDFT_G2/Big_data/Large_core/vqz/data_HF_5z+ec_vqz
2019-04-12 12:24:44 +02:00

69 lines
1.3 KiB
Plaintext

Be -14.6189935278
BeH -15.1982867398
C -37.7867916726
C2H2 -77.2103228842
C2H4 -78.4629534932
C2H6 -79.6999737189
CH -38.4192701838
CH2_1A1 -39.0724751974
CH2_3B1 -39.0878732977
CH3 -39.7731370959
CH3Cl -499.604723613
CH4 -40.4515868487
CN -92.5928421866
CO -113.189667178
CO2 -188.387808537
CS -435.721916236
Cl -459.693789309
Cl2 -919.478160872
ClF -559.44197658
ClO -534.786151795
F -99.6524181135
F2 -199.363043248
H -0.499994535159
H2CO -114.37105381
H2O -76.3620141408
H2O2 -151.41148118
H2S -398.957200414
H3COH -115.591388502
H3CSH -438.20332115
HCN -93.3025600182
HCO -113.719995853
HCl -460.363303258
HF -100.375913827
HOCl -535.447693688
Li -7.43272230705
Li2 -14.9037464053
LiF -107.302475113
LiH -8.02406366992
Mg -199.648524932
N -54.5253586652
N2 -109.406061999
N2H4 -111.738432468
NH -55.1554362718
NH2 -55.8120076353
NH3 -56.4945808149
NO -129.756821669
Na -161.858638846
Na2 -323.743381461
NaCl -621.707572307
O -74.994843853
O2 -150.176519943
OH -75.6633478676
P -340.828189054
P2 -681.834357512
PH2 -342.071042357
PH3 -342.709782356
S -397.667487187
S2 -795.49400763
SO -472.857035777
SO2 -548.057708687
Si -288.937878202
Si2 -577.993556924
Si2H6 -581.723702069
SiH2_1A1 -290.181182663
SiH2_3B1 -290.148915767
SiH3 -290.799362029
SiH4 -291.452697834
SiO -364.232858962