PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

bicl6(-)r   8219 BiCl6(-) (Geo)

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    #  Species Formula
  8209 Bi(III)N2CCl2 (EDIGED)C11H11N2Cl2Bi
  8210 Bi(III)Cl3 (FAPYOK) (Geo)Cl3Bi
  8211 Bi(III)Cl3 (FAPYOK)Cl3Bi
  8212 Bismuth trichloride (Geo)Cl3Bi
  8213 Bismuth trichlorideCl3Bi
  8214 Bi(III)Cl4(-) (FERCBI10) (Geo)Cl4Bi
  8215 Bi(III)Cl4(-) (FERCBI10)Cl4Bi
  8216 BiCl4(-)Cl4Bi
  8217 BiCl4(-) (Geo)Cl4Bi
  8218 BiCl6(-)Cl6Bi
  8219 BiCl6(-) (Geo) Cl6Bi
  8220 Bi(III)Cl6(3-) (ACAYAF) (Geo)Cl6Bi
  8221 Bi(III)Cl6(3-) (ACAYAF)Cl6Bi
  8222 Bismuth selenideSeBi
  8223 Bi(III)CN2Br2 (BIMHUA) (Geo)C16H15N2Br2Bi
  8224 Bi(III)CN2Br2 (BIMHUA)C16H15N2Br2Bi
  8225 Bismuth tribromide (Geo)Br3Bi
  8226 Bismuth tribromideBr3Bi
  8227 Bi(III)S4Br3 (KIGDIN) (Geo)C8H20S4Br3Bi
  8228 Bi(III)S4Br3 (KIGDIN)C8H20S4Br3Bi
  8229 Bi(III)Br6(3-) (DEJLUZ) (Geo)Br6Bi


REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 CHARGE=-1 PM7
BiCl6(-)
 <Bi-Cl> GR=PW91D
 Bi     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.76021100 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.44708057 +1   88.4831144 +1    0.0000000 +0     1     2     0
 Cl     2.44765136 +1   88.2495867 +1   89.9368574 +1     1     2     3
 Cl     2.44764700 +1   88.2624738 +1 -179.8937966 +1     1     2     4
 Cl     2.44818755 +1   88.5069438 +1  -90.0535500 +1     1     2     5
 Cl     2.43623291 +1   91.2347794 +1  179.9955476 +1     1     6     2