srDFT_G2/Data/data_last/data_HF_HF_LDA_VDZ

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2019-03-21 17:42:05 +01:00
Be -0.0411296147 -0.0411296147
BeH -0.0451441252 -0.0451441252
C -0.0596400948 -0.0196079154
C2H2 -0.1447817337 -0.0671835859
C2H4 -0.1515731844 -0.0740277957
C2H6 -0.1595428512 -0.0822919151
CH -0.0671160495 -0.0278543747
CH2_1A1 -0.0735597279 -0.0347291731
CH2_3B1 -0.0696339082 -0.0303499043
CH3 -0.0772677086 -0.0385113241
CH3Cl -0.4080288503 -0.1080627995
CH4 -0.0830680154 -0.0446146350
CN -0.1479302840 -0.0691596707
CO -0.1654829576 -0.0867147426
CO2 -0.2672658812 -0.1494668260
CS -0.3749338690 -0.0763549649
Cl -0.3251401441 -0.0631178611
Cl2 -0.6572320559 -0.1340710294
ClF -0.4442213800 -0.1433467794
ClO -0.4251254480 -0.1239451528
F -0.1125623911 -0.0729429093
F2 -0.2300211428 -0.1511956359
H -0.0000000000 -0.0000000000
H2CO -0.1747753150 -0.0965268201
H2O -0.1083988800 -0.0688282490
H2O2 -0.2069328805 -0.1277492915
H2S -0.3142377199 -0.0556857074
H3COH -0.1840452661 -0.1059341970
H3CSH -0.3917753109 -0.0943363086
HCN -0.1544689864 -0.0762035512
HCO -0.1692308981 -0.0906859995
HCl -0.3310620982 -0.0700176696
HF -0.1214944464 -0.0820279678
HOCl -0.4319445784 -0.1309667129
Li -0.0364597210 -0.0364597210
Li2 -0.0747509926 -0.0747509926
LiF -0.1607048997 -0.1212934581
LiH -0.0419158010 -0.0419158010
N -0.0701772296 -0.0291411763
N2 -0.1639810932 -0.0849527206
N2H4 -0.1829082477 -0.1042417610
NH -0.0799415810 -0.0398959563
NH2 -0.0882673004 -0.0487779019
NH3 -0.0952998140 -0.0561002845
NO -0.1782463527 -0.0990231806
Na -0.2474187269 -0.2099730117
Na2 -0.4956378399 -0.4207270895
NaCl -0.5829837698 -0.2842777447
O -0.0913871825 -0.0510726535
O2 -0.1924176938 -0.1129136546
OH -0.1006544432 -0.0608649486
P -0.2820743418 -0.0228206845
P2 -0.5839018172 -0.0688786742
PH2 -0.2943332032 -0.0374066483
PH3 -0.2988649082 -0.0428681787
S -0.3030748271 -0.0423700900
S2 -0.6162627517 -0.0966613585
SO -0.4046869780 -0.1055953787
SO2 -0.5089885605 -0.1720725756
Si -0.2715108970 -0.0146889095
Si2 -0.5496120428 -0.0378535745
Si2H6 -0.5729572730 -0.0652514765
SiH2_1A1 -0.2813156033 -0.0262121690
SiH2_3B1 -0.2779177055 -0.0224106797
SiH3 -0.2835624081 -0.0290088942
SiH4 -0.2881695092 -0.0344954204
SiO -0.3779451953 -0.0829390482