srDFT_G2/Big_data/Large_core/vdz/data_CC_vdz_g09
2019-03-28 15:10:08 +01:00

69 lines
1.5 KiB
Plaintext

Be -0.14616842595D+02
BeH -0.15188237812D+02
C -0.37760324327D+02
C2H2 -0.77108707577D+02
C2H4 -0.78354582318D+02
C2H6 -0.79582627286D+02
CH -0.38379911849D+02
CH2_1A1 -0.39022428864D+02
CH2_3B1 -0.39041486776D+02
CH3 -0.39715947366D+02
CH3Cl -0.49944005433D+03
CH4 -0.40387265518D+02
CN -0.92490344174D+02
CO -0.11305456271D+03
CO2 -0.18814771875D+03
CS -0.43560464203D+03
Cl -0.45959885015D+03
Cl2 -0.91926390611D+03
ClF -0.55919399877D+03
ClO -0.53457410732D+03
F -0.99527540939D+02
F2 -0.19909605301D+03
H -0.499278403420
H2CO -0.11421852437D+03
H2O -0.76241194921D+02
H2O2 -0.15119371085D+03
H2S -0.39886509230D+03
H3COH -0.11542046104D+03
H3CSH -0.43805495117D+03
HCN -0.93188167617D+02
HCO -0.11357595116D+03
HCl -0.46025461199D+03
HF -0.10022815608D+03
HOCl -0.53522898901D+03
Li -7.43241987968
Li2 -0.14900633378D+02
LiF -0.10715492553D+03
LiH -0.80144188869D+01
Mg -0.19964117343D+03
N -0.54478432936D+02
N2 -0.10927547265D+03
N2H4 -0.11157050241D+03
NH -0.55091448548D+02
NH2 -0.55732869714D+02
NH3 -0.56402462813D+02
NO -0.12959804235D+03
Na -161.853026642
Na2 -0.32373043273D+03
NaCl -0.62158857752D+03
O -0.74909890120D+02
O2 -0.14998528959D+03
OH -0.75559315945D+02
P -0.34079132503D+03
P2 -0.68172398707D+03
PH2 -0.34200855280D+03
PH3 -0.34263762418D+03
S -0.39760049870D+03
S2 -0.79533090904D+03
SO -0.47266249747D+03
SO2 -0.54771670920D+03
Si -0.28891503251D+03
Si2 -0.57792718865D+03
Si2H6 -0.58161107115D+03
SiH2_1A1 -0.29013743250D+03
SiH2_3B1 -0.29010776142D+03
SiH3 -0.29074824476D+03
SiH4 -0.29139270607D+03
SiO -0.36408048254D+03