srDFT_G2/G09/Mixed_core/data_CC_v5z_g09
2019-04-05 16:07:41 +02:00

69 lines
1.5 KiB
Plaintext

Be -0.14646291827D+02
BeH -0.15228879596D+02
C -0.37788139553D+02
C2H2 -0.77215687228D+02
C2H4 -0.78468441934D+02
C2H6 -0.79705755121D+02
CH -0.38421203545D+02
CH2_1A1 -0.39074863007D+02
CH2_3B1 -0.39089996283D+02
CH3 -0.39775742563D+02
CH3Cl -0.49961476162D+03
CH4 -0.40454500878D+02
CN -0.92599097277D+02
CO -0.11319818728D+03
CO2 -0.18840308802D+03
CS -0.43572924644D+03
Cl -0.45969987351D+03
Cl2 -0.91949226732D+03
ClF -0.55945802101D+03
ClO -0.53479983994D+03
F -0.99660565430D+02
F2 -0.19938067475D+03
H -0.499994535159
H2CO -0.11438012741D+03
H2O -0.76369004983D+02
H2O2 -0.15142495641D+03
H2S -0.39896215392D+03
H3COH -0.11560107851D+03
H3CSH -0.43821142959D+03
HCN -0.93309295885D+02
HCO -0.11372870511D+03
HCl -0.46037011095D+03
HF -0.10038516639D+03
HOCl -0.53546148098D+03
Li -0.74599075343D+01
Li2 -0.14960032036D+02
LiF -0.10734273165D+03
LiH -0.80535505580D+01
Mg -0.19964859005D+03
N -0.54527791813D+02
N2 -0.10941419115D+03
N2H4 -0.11174783323D+03
NH -0.55158830899D+02
NH2 -0.55816200805D+02
NH3 -0.56499355856D+02
NO -0.12976693035D+03
Na -0.16195899378D+03
Na2 -0.32395361179D+03
NaCl -0.62181958143D+03
O -0.74999993617D+02
O2 -0.15018868819D+03
OH -0.75669540217D+02
P -0.34082999252D+03
P2 -0.68184107137D+03
PH2 -0.34207402057D+03
PH3 -0.34271316297D+03
S -0.39767123347D+03
S2 -0.79550405018D+03
SO -0.47286821801D+03
SO2 -0.54807700413D+03
Si -0.28893887653D+03
Si2 -0.57799696723D+03
Si2H6 -0.58172839189D+03
SiH2_1A1 -0.29018294101D+03
SiH2_3B1 -0.29015048271D+03
SiH3 -0.29080125346D+03
SiH4 -0.29145487809D+03
SiO -0.36424145312D+03