srDFT_G2/Data_DFT/VDZ/data_HF_vdz_pbe
2019-03-24 11:44:16 +01:00

68 lines
2.2 KiB
Plaintext

Be -0.0375632495 -0.0375632495
BeH -0.0409372607 -0.0409372607
C -0.0550940193 -0.0149737713
C2H2 -0.1449493476 -0.0670607589
C2H4 -0.1509619815 -0.0733059167
C2H6 -0.1581952248 -0.0808638057
CH -0.0641520415 -0.0248089129
CH2_1A1 -0.0717502421 -0.0328358535
CH2_3B1 -0.0666775865 -0.0273037934
CH3 -0.0755613998 -0.0367189741
CH3Cl -0.4721816776 -0.1015094531
CH4 -0.0822447654 -0.0436813999
CN -0.1501391872 -0.0703510991
CO -0.1724594090 -0.0917968691
CO2 -0.2825988080 -0.1611825668
CS -0.4330187461 -0.0702048776
Cl -0.3883377797 -0.0557959306
Cl2 -0.7877024530 -0.1229902500
ClF -0.5210848927 -0.1473333593
ClO -0.4959915064 -0.1222827898
F -0.1217200491 -0.0797321923
F2 -0.2525192411 -0.1692369835
H 0.0000000000 0.0000000000
H2CO -0.1813994688 -0.1013643908
H2O -0.1148163047 -0.0736216651
H2O2 -0.2196805311 -0.1370895904
H2S -0.3718895269 -0.0492561415
H3COH -0.1901606174 -0.1104202199
H3CSH -0.4489832873 -0.0875713980
HCN -0.1580420791 -0.0784907139
HCO -0.1751029493 -0.0948231450
HCl -0.3958076703 -0.0639527065
HF -0.1330750988 -0.0916005436
HOCl -0.5036160222 -0.1302109261
Li -0.0330685369 -0.0330685369
Li2 -0.0673549393 -0.0673549393
LiF -0.1668460559 -0.1255756044
LiH -0.0372704194 -0.0372704194
N -0.0664494541 -0.0239458355
N2 -0.1716316632 -0.0904256287
N2H4 -0.1879732798 -0.1074695865
NH -0.0785872088 -0.0371769659
NH2 -0.0890366785 -0.0484369868
NH3 -0.0976264663 -0.0574666566
NO -0.1874899416 -0.1055018361
Na -0.2783939699 -0.2496009973
Na2 -0.5572964129 -0.4995907716
NaCl -0.6772307083 -0.3165689971
O -0.0933194322 -0.0506969758
O2 -0.2035534551 -0.1203678178
OH -0.1050780426 -0.0634157601
P -0.3314134595 -0.0158838968
P2 -0.6887353239 -0.0590888216
PH2 -0.3448059749 -0.0306989797
PH3 -0.3500194184 -0.0364999195
S -0.3583765076 -0.0343547066
S2 -0.7321308373 -0.0849494873
SO -0.4686142561 -0.1038731308
SO2 -0.5836866978 -0.1792088999
Si -0.3162038000 -0.0095086626
Si2 -0.6409667588 -0.0285446234
Si2H6 -0.6643562936 -0.0541014218
SiH2_1A1 -0.3265365874 -0.0207493667
SiH2_3B1 -0.3230740811 -0.0171400078
SiH3 -0.3288291740 -0.0233080358
SiH4 -0.3334779740 -0.0284968245
SiO -0.4303008948 -0.0824530155