srDFT_G2/Big_data/Large_core/vqz/data_HF_5z+ec+LDA_val_vqz

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2019-04-12 12:24:44 +02:00
Be -14.619473176
BeH -15.1994090873
C -37.7906455248
C2H2 -77.2240868198
C2H4 -78.4773152028
C2H6 -79.7152140475
CH -38.4245684685
CH2_1A1 -39.0789228128
CH2_3B1 -39.093305596
CH3 -39.7800057737
CH3Cl -499.630989432
CH4 -40.4594604679
CN -92.6085592588
CO -113.210888533
CO2 -188.425096169
CS -435.740944176
Cl -459.711119345
Cl2 -919.515353407
ClF -559.480840736
ClO -534.819039177
F -99.6715286591
F2 -199.403233874
H -0.499994535159
H2CO -114.393501002
H2O -76.3780817324
H2O2 -151.442546929
H2S -398.97033036
H3COH -115.614796894
H3CSH -438.224179803
HCN -93.3195328016
HCO -113.741484295
HCl -460.381768438
HF -100.396917566
HOCl -535.481782666
Li -7.43272230705
Li2 -14.9040128308
LiF -107.324711718
LiH -8.02484755152
Mg -199.834137579
N -54.5318303502
N2 -109.426010531
N2H4 -111.760648549
NH -55.1637766342
NH2 -55.8220307907
NH3 -56.5059653244
NO -129.781114543
Na -161.858638846
Na2 -323.743594424
NaCl -621.727679834
O -75.0073609563
O2 -150.204906338
OH -75.6778738205
P -340.833330148
P2 -681.851413043
PH2 -342.078839538
PH3 -342.71847889
S -397.678338514
S2 -795.51942877
SO -472.884141796
SO2 -548.102253548
Si -288.940970216
Si2 -578.002373933
Si2H6 -581.735881638
SiH2_1A1 -290.185296209
SiH2_3B1 -290.152396776
SiH3 -290.804473975
SiH4 -291.458744533
SiO -364.253673645