srDFT_G2/Data/data_last/data_HF_LDA_VTZ

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2019-03-02 14:51:20 +01:00
Be -0.0328403232 -0.0328403232
BeH -0.0333112142 -0.0333112142
C -0.0399485195 -0.0084949394
C2H2 -0.0849965855 -0.0296190882
C2H4 -0.0864061572 -0.0315258061
C2H6 -0.0880404562 -0.0340607851
CH -0.0413302162 -0.0117237767
CH2_1A1 -0.0428572129 -0.0143815709
CH2_3B1 -0.0408003787 -0.0124280237
CH3 -0.0431380291 -0.0156341171
CH3Cl -0.3166194633 -0.0532088892
CH4 -0.0449196408 -0.0180463017
CN -0.0912603884 -0.0323531423
CO -0.1011930590 -0.0419937307
CO2 -0.1599879155 -0.0728182686
CS -0.3044220790 -0.0388309719
Cl -0.2715722282 -0.0340569341
Cl2 -0.5463425667 -0.0729578381
ClF -0.3415357942 -0.0745239791
ClO -0.3314516551 -0.0642742555
F -0.0668747617 -0.0361331462
F2 -0.1362881343 -0.0755422842
H -0.0000000000 -0.0000000000
H2CO -0.1022514602 -0.0450131478
H2O -0.0617713722 -0.0322399028
H2O2 -0.1207438165 -0.0611051082
H2S -0.2626363464 -0.0277331601
H3COH -0.1046309163 -0.0480217846
H3CSH -0.3060610914 -0.0441646983
HCN -0.0922496526 -0.0351700850
HCO -0.1010129271 -0.0427855796
HCl -0.2733501793 -0.0369265935
HF -0.0700713703 -0.0401105799
HOCl -0.3332228009 -0.0668987974
Li -0.0251689099 -0.0251689099
Li2 -0.0504159448 -0.0504159448
LiF -0.0966901926 -0.0666239088
LiH -0.0266035526 -0.0266035526
N -0.0448049506 -0.0132551254
N2 -0.0992004855 -0.0404608315
N2H4 -0.1038895606 -0.0464816055
NH -0.0478481181 -0.0176058940
NH2 -0.0506063271 -0.0213497293
NH3 -0.0527778405 -0.0244338035
NO -0.1076417217 -0.0479410504
Na -0.2343727105 -0.1975543616
Na2 -0.4668386597 -0.3931859781
NaCl -0.5097033140 -0.2364537132
O -0.0558702067 -0.0245695929
O2 -0.1158316523 -0.0553086721
OH -0.0590843422 -0.0288073877
P -0.2456341109 -0.0114740461
P2 -0.5002737826 -0.0355974274
PH2 -0.2488075304 -0.0173572571
PH3 -0.2496659201 -0.0195922673
S -0.2596844633 -0.0221965493
S2 -0.5241098041 -0.0517786161
SO -0.3202136791 -0.0537070378
SO2 -0.3814101232 -0.0866690396
Si -0.2346803144 -0.0069192747
Si2 -0.4716941762 -0.0183999984
Si2H6 -0.4738488595 -0.0281835638
SiH2_1A1 -0.2368941775 -0.0113348692
SiH2_3B1 -0.2352999383 -0.0096737348
SiH3 -0.2364428294 -0.0122221515
SiH4 -0.2370702209 -0.0143218218
SiO -0.2972760417 -0.0404640914