srDFT_G2/G09/Small_core/data_CC_vtz_g09
2019-03-28 00:27:01 +01:00

69 lines
1.5 KiB
Plaintext

Be -0.14623790138D+02
BeH -0.15202843607D+02
C -0.37789505265D+02
C2H2 -0.77218203819D+02
C2H4 -0.78470474988D+02
C2H6 -0.79707709453D+02
CH -0.38421443509D+02
CH2_1A1 -0.39074305890D+02
CH2_3B1 -0.39091885105D+02
CH3 -0.39776638030D+02
CH3Cl -0.49961441006D+03
CH4 -0.40455011914D+02
CN -0.92592526984D+02
CO -0.11318049059D+03
CO2 -0.18836832234D+03
CS -0.43573794970D+03
Cl -0.45970281197D+03
Cl2 -0.91949048961D+03
ClF -0.55942416355D+03
ClO -0.53477823144D+03
F -0.99632193890D+02
F2 -0.19932013310D+03
H -0.499809811302
H2CO -0.11436227281D+03
H2O -0.76345747048D+02
H2O2 -0.15138436654D+03
H2S -0.39897032234D+03
H3COH -0.11558061610D+03
H3CSH -0.43822032214D+03
HCN -0.93303509292D+02
HCO -0.11371078275D+03
HCl -0.46036931959D+03
HF -0.10035134022D+03
HOCl -0.53543952665D+03
Li -0.74460657819D+01
Li2 -0.14930948732D+02
LiF -0.10729124771D+03
LiH -0.80366472499D+01
Mg -0.19966606070D+03
N -0.54524861993D+02
N2 -0.10939988962D+03
N2H4 -0.11172768877D+03
NH -0.55152444992D+02
NH2 -0.55806923726D+02
NH3 -0.56488209045D+02
NO -0.12974213614D+03
Na -0.16186981399D+03
Na2 -0.32376908346D+03
NaCl -0.62172250717D+03
O -0.74984935661D+02
O2 -0.15015336853D+03
OH -0.75649992739D+02
P -0.34086012830D+03
P2 -0.68188990642D+03
PH2 -0.34209864017D+03
PH3 -0.34273634834D+03
S -0.39768556974D+03
S2 -0.79552296882D+03
SO -0.47285570051D+03
SO2 -0.54803165774D+03
Si -0.28898707734D+03
Si2 -0.57808943861D+03
Si2H6 -0.58181525261D+03
SiH2_1A1 -0.29022748478D+03
SiH2_3B1 -0.29019514576D+03
SiH3 -0.29084459767D+03
SiH4 -0.29149745353D+03
SiO -0.36426311148D+03