srDFT_G2/Data/data_last/data_HF_pbe_VDZ

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2019-03-25 22:30:19 +01:00
Be -0.0351824769 -0.0351824769
BeH -0.0388552485 -0.0388552485
C -0.0510699993 -0.0116430207
C2H2 -0.1344183101 -0.0576176112
C2H4 -0.1399273614 -0.0633948925
C2H6 -0.1468790719 -0.0707099955
CH -0.0589419464 -0.0202153332
CH2_1A1 -0.0656398423 -0.0273315465
CH2_3B1 -0.0620543871 -0.0232698651
CH3 -0.0697891625 -0.0314918277
CH3Cl -0.4485264458 -0.0926268919
CH4 -0.0756296302 -0.0376105963
CN -0.1385480264 -0.0595364666
CO -0.1602621525 -0.0808292444
CO2 -0.2643184625 -0.1448377360
CS -0.4107390525 -0.0626738459
Cl -0.3708024335 -0.0523447499
Cl2 -0.7514903638 -0.1150230048
ClF -0.4945350455 -0.1356678610
ClO -0.4711260728 -0.1122111380
F -0.1143711298 -0.0733840510
F2 -0.2359173340 -0.1543785379
H -0.0000000000 -0.0000000000
H2CO -0.1684756864 -0.0896113120
H2O -0.1067167252 -0.0661534923
H2O2 -0.2043054457 -0.1229086249
H2S -0.3540431607 -0.0453383842
H3COH -0.1768437028 -0.0983067067
H3CSH -0.4263637821 -0.0794433089
HCN -0.1462686680 -0.0677303702
HCO -0.1630027055 -0.0838621283
HCl -0.3774160940 -0.0597949312
HF -0.1244695758 -0.0839343737
HOCl -0.4778474503 -0.1191174411
Li -0.0318454142 -0.0318454142
Li2 -0.0643723698 -0.0643723698
LiF -0.1572266491 -0.1167987935
LiH -0.0353611396 -0.0353611396
N -0.0623457321 -0.0202876832
N2 -0.1586700147 -0.0784429887
N2H4 -0.1745072025 -0.0950612790
NH -0.0731075734 -0.0322196438
NH2 -0.0824285826 -0.0423164076
NH3 -0.0901902394 -0.0505399718
NO -0.1743177099 -0.0934132184
Na -0.2639030394 -0.2359599037
Na2 -0.5280585959 -0.4720578896
NaCl -0.6450010959 -0.2995748174
O -0.0875538843 -0.0456715876
O2 -0.1904575335 -0.1084892767
OH -0.0979824163 -0.0569610693
P -0.3161047916 -0.0141211802
P2 -0.6555656358 -0.0534854684
PH2 -0.3280651835 -0.0277206946
PH3 -0.3325322133 -0.0328347930
S -0.3421827385 -0.0318861549
S2 -0.6990817187 -0.0799918716
SO -0.4453029862 -0.0951906955
SO2 -0.5522375300 -0.1629624930
Si -0.3008543507 -0.0076854003
Si2 -0.6102306083 -0.0250911188
Si2H6 -0.6319233510 -0.0497254693
SiH2_1A1 -0.3097315922 -0.0176291740
SiH2_3B1 -0.3075640871 -0.0153832428
SiH3 -0.3124534206 -0.0208577756
SiH4 -0.3162563540 -0.0252934030
SiO -0.4069844592 -0.0734567575