srDFT_G2/Big_data/Large_core/vtz/data_ec_vtz
2019-04-11 17:37:32 +02:00

69 lines
1.2 KiB
Plaintext

Be -0.0455535457
BeH -0.0436227484
C -0.093964237
C2H2 -0.3376796177
C2H4 -0.3748536505
C2H6 -0.4148485362
CH -0.1336320759
CH2_1A1 -0.1695302812
CH2_3B1 -0.1457507259
CH3 -0.1880952617
CH3Cl -0.418365754
CH4 -0.2248641372
CN -0.3494622843
CO -0.375513612
CO2 -0.620574252
CS -0.340305192
Cl -0.191920548
Cl2 -0.428287419
ClF -0.479698329
ClO -0.437842811
F -0.2193712721
F2 -0.540786782
H 0.0
H2CO -0.421877143
H2O -0.2754559087
H2O2 -0.522414419
H2S -0.222599218
H3COH -0.461787228
H3CSH -0.412666643
HCN -0.3668232846
HCO -0.397337865
HCl -0.230510586
HF -0.280459861
HOCl -0.475875092
Li 0.0
Li2 -0.0315877318
LiF -0.28341458
LiH -0.03566790052
Mg -0.033729574
N -0.1172084364
N2 -0.390617932
N2H4 -0.475015535
NH -0.1672965691
NH2 -0.2129255917
NH3 -0.255816338
NO -0.428022723
Na 0.0
Na2 -0.027288985
NaCl -0.224871237
O -0.1682118181
O2 -0.475868436
OH -0.2234758712
P -0.104968373
P2 -0.317484004
PH2 -0.175166302
PH3 -0.205286373
S -0.149650232
S2 -0.374195733
SO -0.425187077
SO2 -0.685233827
Si -0.080886262
Si2 -0.204269243
Si2H6 -0.323970186
SiH2_1A1 -0.140515811
SiH2_3B1 -0.117116629
SiH3 -0.147775828
SiH4 -0.176803494
SiO -0.356100349