srDFT_G2/Data_DFT/VDZ/data_HF_HF_vdz_lda

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2019-03-24 11:44:16 +01:00
Be -0.0411296147 -0.0411296147
BeH -0.0451441252 -0.0451441252
C -0.0596400948 -0.0184012347
C2H2 -0.1447817337 -0.0651743446
C2H4 -0.1515731844 -0.0721311418
C2H6 -0.1595428512 -0.0805025436
CH -0.0671160495 -0.0266920741
CH2_1A1 -0.0735597279 -0.0336463694
CH2_3B1 -0.0696339082 -0.0294240052
CH3 -0.0772677086 -0.0375826076
CH3Cl -0.4080288503 -0.1019154791
CH4 -0.0830680154 -0.0437240875
CN -0.1479302840 -0.0666673607
CO -0.1654829576 -0.0836617340
CO2 -0.2672658812 -0.1447751438
CS -0.3749338690 -0.0712309119
Cl -0.3251401441 -0.0579341919
Cl2 -0.6572320559 -0.1235430253
ClF -0.4442213800 -0.1357732995
ClO -0.4251254480 -0.1167277281
F -0.1125623911 -0.0705424450
F2 -0.2300211428 -0.1463774305
H -0.0000000000 -0.0000000000
H2CO -0.1747753150 -0.0937334891
H2O -0.1083988800 -0.0670373189
H2O2 -0.2069328805 -0.1240478168
H2S -0.3142377199 -0.0518462560
H3COH -0.1840452661 -0.1032589363
H3CSH -0.3917753109 -0.0895978024
HCN -0.1544689864 -0.0737216703
HCO -0.1692308981 -0.0878105805
HCl -0.3310620982 -0.0647750366
HF -0.1214944464 -0.0797074850
HOCl -0.4319445784 -0.1238931219
Li -0.0364597210 -0.0364597210
Li2 -0.0747509926 -0.0747509926
LiF -0.1607048997 -0.1190036140
LiH -0.0419158010 -0.0419158010
N -0.0701772296 -0.0279005475
N2 -0.1639810932 -0.0819762541
N2H4 -0.1829082477 -0.1016029460
NH -0.0799415810 -0.0384683605
NH2 -0.0882673004 -0.0473976505
NH3 -0.0952998140 -0.0548064218
NO -0.1782463527 -0.0956457898
Na -0.2474187269 -0.2051697332
Na2 -0.4956378399 -0.4111215906
NaCl -0.5829837698 -0.2742975574
O -0.0913871825 -0.0491459648
O2 -0.1924176938 -0.1090823088
OH -0.1006544432 -0.0589923485
P -0.2820743418 -0.0205650148
P2 -0.5839018172 -0.0636160844
PH2 -0.2943332032 -0.0347956376
PH3 -0.2988649082 -0.0402019525
S -0.3030748271 -0.0387466997
S2 -0.6162627517 -0.0890613638
SO -0.4046869780 -0.0999633931
SO2 -0.5089885605 -0.1647543041
Si -0.2715108970 -0.0131871204
Si2 -0.5496120428 -0.0346757788
Si2H6 -0.5729572730 -0.0614341614
SiH2_1A1 -0.2813156033 -0.0244873359
SiH2_3B1 -0.2779177055 -0.0207916521
SiH3 -0.2835624081 -0.0271871130
SiH4 -0.2881695092 -0.0326142491
SiO -0.3779451953 -0.0792091902