69 lines
2.1 KiB
Plaintext
69 lines
2.1 KiB
Plaintext
|
Be -0.0372345455 -0.0372345455
|
||
|
|
BeH -0.0404060129 -0.0404060129
|
||
|
|
C -0.0547442699 -0.0147534884
|
||
|
|
C2H2 -0.1405735918 -0.0630632296
|
||
|
|
C2H4 -0.1459010235 -0.0685398886
|
||
|
|
C2H6 -0.1519617432 -0.0749610137
|
||
|
|
CH -0.0628181456 -0.0236205078
|
||
|
|
CH2_1A1 -0.0694856274 -0.0307240297
|
||
|
|
CH2_3B1 -0.0650724733 -0.0258848938
|
||
|
|
CH3 -0.0729807843 -0.0342843207
|
||
|
|
CH3Cl -0.4643582506 -0.0953825983
|
||
|
|
CH4 -0.0787299152 -0.0402916691
|
||
|
|
CN -0.1452099609 -0.0658303163
|
||
|
|
CO -0.1666106284 -0.0863601264
|
||
|
|
CO2 -0.2715122817 -0.1504944363
|
||
|
|
CS -0.4274124483 -0.0661010976
|
||
|
|
Cl -0.3844812130 -0.0529952329
|
||
|
|
Cl2 -0.7778210943 -0.1158689119
|
||
|
|
ClF -0.5094133081 -0.1373925864
|
||
|
|
ClO -0.4864293472 -0.1142045585
|
||
|
|
F -0.1180753177 -0.0761651128
|
||
|
|
F2 -0.2434742899 -0.1601259727
|
||
|
|
H 0.0000000000 0.0000000000
|
||
|
|
H2CO -0.1745949640 -0.0948369391
|
||
|
|
H2O -0.1097614542 -0.0686530678
|
||
|
|
H2O2 -0.2106731676 -0.1282423568
|
||
|
|
H2S -0.3669633598 -0.0457687093
|
||
|
|
H3COH -0.1820968899 -0.1026751729
|
||
|
|
H3CSH -0.4409209362 -0.0812177572
|
||
|
|
HCN -0.1522728932 -0.0730777669
|
||
|
|
HCO -0.1690706435 -0.0890875451
|
||
|
|
HCl -0.3905243218 -0.0599218237
|
||
|
|
HF -0.1276841958 -0.0862848463
|
||
|
|
HOCl -0.4927979967 -0.1210424070
|
||
|
|
Li -0.0330611742 -0.0330611742
|
||
|
|
Li2 -0.0668968536 -0.0668968536
|
||
|
|
LiF -0.1562845488 -0.1149531952
|
||
|
|
LiH -0.0340821170 -0.0340821170
|
||
|
|
Mg -0.2892676595 -0.2605516837
|
||
|
|
N -0.0656099407 -0.0230740497
|
||
|
|
N2 -0.1655270907 -0.0845164698
|
||
|
|
N2H4 -0.1799898373 -0.0998264741
|
||
|
|
NH -0.0765436457 -0.0352854286
|
||
|
|
NH2 -0.0856535046 -0.0451889704
|
||
|
|
NH3 -0.0930645889 -0.0530025641
|
||
|
|
NO -0.1808552442 -0.0990248821
|
||
|
|
Na -0.2783456199 -0.2495398480
|
||
|
|
Na2 -0.5565458665 -0.4987130011
|
||
|
|
NaCl -0.6704395802 -0.3107470600
|
||
|
|
O -0.0913095099 -0.0488051103
|
||
|
|
O2 -0.1969639043 -0.1139501393
|
||
|
|
OH -0.1014704640 -0.0599124592
|
||
|
|
P -0.3297011799 -0.0149567780
|
||
|
|
P2 -0.6826923729 -0.0555191715
|
||
|
|
PH2 -0.3421218561 -0.0291597731
|
||
|
|
PH3 -0.3463591312 -0.0343769099
|
||
|
|
S -0.3556326868 -0.0325248072
|
||
|
|
S2 -0.7240220549 -0.0794812009
|
||
|
|
SO -0.4592730781 -0.0966709187
|
||
|
|
SO2 -0.5673833435 -0.1660129849
|
||
|
|
Si -0.3152638734 -0.0092168832
|
||
|
|
Si2 -0.6393847604 -0.0286119459
|
||
|
|
Si2H6 -0.6565482603 -0.0502699499
|
||
|
|
SiH2_1A1 -0.3198519862 -0.0167601630
|
||
|
|
SiH2_3B1 -0.3173457230 -0.0143539571
|
||
|
|
SiH3 -0.3250161614 -0.0215254604
|
||
|
|
SiH4 -0.3292372966 -0.0265220634
|
||
|
|
SiO -0.4235834216 -0.0774589801
|