2019-03-05 14:02:54 +01:00
|
|
|
Be -0.0309013145 -0.0309013145
|
|
|
|
|
BeH -0.0316145298 -0.0316145298
|
|
|
|
|
C -0.0388318069 -0.0058093026
|
|
|
|
|
C2H2 -0.0841433373 -0.0288145534
|
|
|
|
|
C2H4 -0.0853005505 -0.0303930538
|
|
|
|
|
C2H6 -0.0868997115 -0.0329843501
|
|
|
|
|
CH -0.0402553268 -0.0094436443
|
|
|
|
|
CH2_1A1 -0.0416215816 -0.0121960779
|
|
|
|
|
CH2_3B1 -0.0400487383 -0.0112288690
|
|
|
|
|
CH3 -0.0420020051 -0.0144710206
|
2019-03-13 11:21:30 +01:00
|
|
|
CH3Cl -0.3698850729 -0.0497522536
|
2019-03-05 14:02:54 +01:00
|
|
|
CH4 -0.0435011721 -0.0167776028
|
|
|
|
|
CN -0.0914796470 -0.0314282185
|
|
|
|
|
CO -0.1038539029 -0.0433064613
|
|
|
|
|
CO2 -0.1669683487 -0.0784895606
|
|
|
|
|
CS -0.3514493393 -0.0347198279
|
|
|
|
|
Cl -0.3237107885 -0.0298858717
|
|
|
|
|
Cl2 -0.6522350554 -0.0658393670
|
|
|
|
|
ClF -0.3994321930 -0.0754836273
|
|
|
|
|
ClO -0.3867460827 -0.0624324718
|
|
|
|
|
F -0.0713938032 -0.0401959589
|
|
|
|
|
F2 -0.1460663779 -0.0841128482
|
|
|
|
|
H -0.0000000000 -0.0000000000
|
|
|
|
|
H2CO -0.1044833782 -0.0464142887
|
|
|
|
|
H2O -0.0636792211 -0.0337671305
|
|
|
|
|
H2O2 -0.1255397322 -0.0643254235
|
|
|
|
|
H2S -0.3095110467 -0.0239962921
|
|
|
|
|
H3COH -0.1066215516 -0.0494837706
|
2019-03-13 17:34:44 +01:00
|
|
|
H3CSH -0.3541904541 -0.0414305831
|
2019-03-05 14:02:54 +01:00
|
|
|
HCN -0.0928207149 -0.0348039198
|
|
|
|
|
HCO -0.1034237474 -0.0443018901
|
|
|
|
|
HCl -0.3257738564 -0.0330445149
|
|
|
|
|
HF -0.0752834856 -0.0453414914
|
|
|
|
|
HOCl -0.3894116470 -0.0656637295
|
|
|
|
|
Li -0.0225237049 -0.0225237049
|
|
|
|
|
Li2 -0.0448198458 -0.0448198458
|
|
|
|
|
LiF -0.0985037289 -0.0686593706
|
|
|
|
|
LiH -0.0235029139 -0.0235029139
|
|
|
|
|
N -0.0445627146 -0.0104296557
|
|
|
|
|
N2 -0.1011462516 -0.0407087568
|
|
|
|
|
N2H4 -0.1053731046 -0.0466299131
|
|
|
|
|
NH -0.0478115931 -0.0162306735
|
|
|
|
|
NH2 -0.0506238211 -0.0205113613
|
|
|
|
|
NH3 -0.0527749537 -0.0239861847
|
|
|
|
|
NO -0.1109873352 -0.0496761305
|
|
|
|
|
Na -0.2536086727 -0.2322098149
|
|
|
|
|
Na2 -0.5055206591 -0.4626627797
|
|
|
|
|
NaCl -0.5811598636 -0.2674783267
|
|
|
|
|
O -0.0573115436 -0.0247399600
|
|
|
|
|
O2 -0.1205776161 -0.0586978077
|
|
|
|
|
OH -0.0608209062 -0.0297629324
|
|
|
|
|
P -0.2877659514 -0.0094359270
|
|
|
|
|
P2 -0.5850301932 -0.0310107188
|
|
|
|
|
PH2 -0.2909868780 -0.0146753790
|
|
|
|
|
PH3 -0.2918527102 -0.0166357731
|
|
|
|
|
S -0.3061745192 -0.0185087225
|
|
|
|
|
S2 -0.6188515627 -0.0465024715
|
|
|
|
|
SO -0.3701804163 -0.0532459114
|
|
|
|
|
SO2 -0.4367558167 -0.0908922895
|
|
|
|
|
Si -0.2716784652 -0.0054618884
|
|
|
|
|
Si2 -0.5457046182 -0.0155506589
|
|
|
|
|
Si2H6 -0.5493713365 -0.0254708747
|
|
|
|
|
SiH2_1A1 -0.2736718366 -0.0089820201
|
|
|
|
|
SiH2_3B1 -0.2728468508 -0.0083782513
|
|
|
|
|
SiH3 -0.2738183016 -0.0104917213
|
|
|
|
|
SiH4 -0.2742005187 -0.0122163017
|
|
|
|
|
SiO -0.3369993833 -0.0409579691
|
