Accuracy

bi(iii)cl6(3-) (acayaf)   8220 Bi(III)Cl6(3-) (ACAYAF)

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    #  Species Formula
  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
  8228 Bi(III)Br6(3-) (DEJLUZ) (Geo)Br6Bi
  8229 Bi(III)Br6(3-) (DEJLUZ)Br6Bi
  8230 Bi(III)Cl2I2(-) (JAJFEG) (Geo)Cl2I2Bi


ΔHf: -127.4 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=-3 PM7
Bi(III)Cl6(3-) (ACAYAF)
 H=-127.4 HR=PW91D
 Bi     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.57709537 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.57696967 +1  179.5039532 +1    0.0000000 +0     1     2     0
 Cl     2.57787999 +1   90.1753430 +1  124.9559663 +1     1     2     3
 Cl     2.57556009 +1   89.7498651 +1  -89.9848037 +1     1     2     4
 Cl     2.57854816 +1   90.2492502 +1  179.8989161 +1     1     2     5
 Cl     2.57628585 +1   89.8288914 +1   90.0252435 +1     1     2     6