srDFT_G2/Big_data/Large_core/extrap/data_CC_vqz_g09
2019-04-10 10:33:01 +02:00

69 lines
1.5 KiB
Plaintext

Be -0.14618950681D+02
BeH -0.15198140633D+02
C -0.37786447705D+02
C2H2 -0.77209206009D+02
C2H4 -0.78461619409D+02
C2H6 -0.79698640985D+02
CH -0.38418706669D+02
CH2_1A1 -0.39071754359D+02
CH2_3B1 -0.39087257474D+02
CH3 -0.39772407249D+02
CH3Cl -0.49960292293D+03
CH4 -0.40450848876D+02
CN -0.92591638542D+02
CO -0.11318790475D+03
CO2 -0.18838456325D+03
CS -0.43571976695D+03
Cl -0.45969324757D+03
Cl2 -0.91947564418D+03
ClF -0.55943785629D+03
ClO -0.53478272671D+03
F -0.99650199433D+02
F2 -0.19935854395D+03
H -0.499945568583
H2CO -0.11436884198D+03
H2O -0.76359763143D+02
H2O2 -0.15140815198D+03
H2S -0.39895549506D+03
H3COH -0.11558880806D+03
H3CSH -0.43820097840D+03
HCN -0.93301254992D+02
HCO -0.11371787862D+03
HCl -0.46036210782D+03
HF -0.10037316856D+03
HOCl -0.53544450122D+03
Li -7.43269512830
Li2 -0.14903677872D+02
LiF -0.10730011261D+03
LiH -0.80239171451D+01
Mg -0.19964815283D+03
N -0.54524683358D+02
N2 -0.10940438477D+03
N2H4 -0.11173585974D+03
NH -0.55154450368D+02
NH2 -0.55810717987D+02
NH3 -0.56492989182D+02
NO -0.12975451840D+03
Na -161.858676410
Na2 -0.32374336585D+03
NaCl -0.62170648257D+03
O -0.74993456741D+02
O2 -0.15017356212D+03
OH -0.75661553971D+02
P -0.34082784835D+03
P2 -0.68183204008D+03
PH2 -0.34206968958D+03
PH3 -0.34270793893D+03
S -0.39766701064D+03
S2 -0.79549120287D+03
SO -0.47285245443D+03
SO2 -0.54804663959D+03
Si -0.28893754890D+03
Si2 -0.57799220369D+03
Si2H6 -0.58172021928D+03
SiH2_1A1 -0.29017997596D+03
SiH2_3B1 -0.29014781856D+03
SiH3 -0.29079780777D+03
SiH4 -0.29145070837D+03
SiO -0.36422905944D+03