Accuracy

bicl6(-)   8217 BiCl6(-)

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    #  Species Formula
  8207 Bi(III)N2CCl2 (EDIGED) (Geo)C11H11N2Cl2Bi
  8208 Bi(III)N2CCl2 (EDIGED)C11H11N2Cl2Bi
  8209 Bi(III)Cl3 (FAPYOK) (Geo)Cl3Bi
  8210 Bi(III)Cl3 (FAPYOK)Cl3Bi
  8211 Bismuth trichloride (Geo)Cl3Bi
  8212 Bismuth trichlorideCl3Bi
  8213 Bi(III)Cl4(-) (FERCBI10) (Geo)Cl4Bi
  8214 Bi(III)Cl4(-) (FERCBI10)Cl4Bi
  8215 BiCl4(-)Cl4Bi
  8216 BiCl4(-) (Geo)Cl4Bi
  8217 BiCl6(-) Cl6Bi
  8218 BiCl6(-) (Geo)Cl6Bi
  8219 Bi(III)Cl6(3-) (ACAYAF) (Geo)Cl6Bi
  8220 Bi(III)Cl6(3-) (ACAYAF)Cl6Bi
  8221 Bismuth selenideSeBi
  8222 Bi(III)CN2Br2 (BIMHUA) (Geo)C16H15N2Br2Bi
  8223 Bi(III)CN2Br2 (BIMHUA)C16H15N2Br2Bi
  8224 Bismuth tribromide (Geo)Br3Bi
  8225 Bismuth tribromideBr3Bi
  8226 Bi(III)S4Br3 (KIGDIN) (Geo)C8H20S4Br3Bi
  8227 Bi(III)S4Br3 (KIGDIN)C8H20S4Br3Bi


ΔHf: -120.7 kcal/mol,     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(-)
 H=-120.7 HR=PW91D
 Bi     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.45852907 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.45847466 +1   89.9996110 +1    0.0000000 +0     1     2     0
 Cl     2.45865423 +1   89.9957972 +1   89.9336665 +1     1     2     3
 Cl     2.45846193 +1   89.9996963 +1  179.9601935 +1     1     2     4
 Cl     2.45853568 +1   89.9930118 +1  -90.0445629 +1     1     2     5
 Cl     2.45850290 +1   89.9982048 +1  179.9674385 +1     1     6     2