srDFT_G2/Big_data/Mixed_core/vqz/data_CC_vqz
2019-04-02 12:34:52 +02:00

69 lines
1.3 KiB
Plaintext

Be -14.640082993
BeH -15.22117405
C -37.786447705
C2H2 -77.209206009
C2H4 -78.461619409
C2H6 -79.698640985
CH -38.418706669
CH2_1A1 -39.071754359
CH2_3B1 -39.087257474
CH3 -39.772407249
CH3Cl -499.60292293
CH4 -40.450848876
CN -92.591638542
CO -113.18790475
CO2 -188.38456325
CS -435.71976695
Cl -459.69324757
Cl2 -919.47564418
ClF -559.43785629
ClO -534.78272671
F -99.650199433
F2 -199.35854395
H -0.499945568583
H2CO -114.36884198
H2O -76.359763143
H2O2 -151.40815198
H2S -398.95549506
H3COH -115.58880806
H3CSH -438.2009784
HCN -93.301254992
HCO -113.71787862
HCl -460.36210782
HF -100.37316856
HOCl -535.44450122
Li -7.4498272713
Li2 -14.940903058
LiF -107.31982189
LiH -8.0425827663
Mg -199.67976443
N -54.524683358
N2 -109.40438477
N2H4 -111.73585974
NH -55.154450368
NH2 -55.810717987
NH3 -56.492989182
NO -129.7545184
Na -161.87085496
Na2 -323.7807298
NaCl -621.72064831
O -74.993456741
O2 -150.17356212
OH -75.661553971
P -340.82784835
P2 -681.83204008
PH2 -342.06968958
PH3 -342.70793893
S -397.66701064
S2 -795.49120287
SO -472.85245443
SO2 -548.04663959
Si -288.9375489
Si2 -577.99220369
Si2H6 -581.72021928
SiH2_1A1 -290.17997596
SiH2_3B1 -290.14781856
SiH3 -290.79780777
SiH4 -291.45070837
SiO -364.22905944