srDFT_G2/Data/data_last/data_HF_HF_PBE_VTZ

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2019-03-21 17:42:05 +01:00
Be -0.0325306587 -0.0325306587
BeH -0.0331943272 -0.0331943272
C -0.0411684382 -0.0064865803
C2H2 -0.0883258943 -0.0263310165
C2H4 -0.0893851820 -0.0279124303
C2H6 -0.0906826883 -0.0301092032
CH -0.0429294122 -0.0098803011
CH2_1A1 -0.0444795920 -0.0125852984
CH2_3B1 -0.0421106235 -0.0103807766
CH3 -0.0443840555 -0.0136178287
CH3Cl -0.3861153885 -0.0472977973
CH4 -0.0459628030 -0.0158839578
CN -0.0965848676 -0.0292453451
CO -0.1095545798 -0.0402686262
CO2 -0.1746635470 -0.0706830883
CS -0.3684021270 -0.0339093835
Cl -0.3388054947 -0.0294926118
Cl2 -0.6815978461 -0.0644097217
ClF -0.4180831927 -0.0711140935
ClO -0.4047087690 -0.0590882011
F -0.0753008897 -0.0365956714
F2 -0.1538589196 -0.0771897598
H 0.0000000000 0.0000000000
H2CO -0.1100582609 -0.0428770127
H2O -0.0674710637 -0.0313603609
H2O2 -0.1321717564 -0.0594403513
H2S -0.3241351818 -0.0235143309
H3COH -0.1118505716 -0.0453988774
H3CSH -0.3695788781 -0.0384283919
HCN -0.0977106866 -0.0321339228
HCO -0.1088588483 -0.0406610396
HCl -0.3407773464 -0.0325322285
HF -0.0790536681 -0.0410653645
HOCl -0.4068432644 -0.0618634726
Li -0.0238585090 -0.0238585090
Li2 -0.0476633674 -0.0476633674
LiF -0.1040293945 -0.0660039356
LiH -0.0251190464 -0.0251190464
N -0.0468916514 -0.0103997854
N2 -0.1065381428 -0.0376673385
N2H4 -0.1104987657 -0.0429050052
NH -0.0506196911 -0.0152980138
NH2 -0.0536531944 -0.0192956633
NH3 -0.0558740951 -0.0224652691
NO -0.1169044695 -0.0455968072
Na -0.2691503666 -0.2419347680
Na2 -0.5366319231 -0.4819347194
NaCl -0.6114189314 -0.2762051819
O -0.0606110227 -0.0228374331
O2 -0.1265694953 -0.0529542690
OH -0.0644703610 -0.0276435144
P -0.3015247322 -0.0080140759
P2 -0.6132047990 -0.0296521996
PH2 -0.3050552272 -0.0139423766
PH3 -0.3059095427 -0.0160070444
S -0.3207860165 -0.0178658975
S2 -0.6472578799 -0.0443706224
SO -0.3873064395 -0.0490544964
SO2 -0.4554976752 -0.0823031741
Si -0.2855023530 -0.0048049219
Si2 -0.5726255202 -0.0135200902
Si2H6 -0.5758606343 -0.0230546185
SiH2_1A1 -0.2877477645 -0.0088535721
SiH2_3B1 -0.2860162569 -0.0071428717
SiH3 -0.2872878170 -0.0095537791
SiH4 -0.2879141478 -0.0115443071
SiO -0.3543263607 -0.0377730036