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

bismuth trichloride   8213 Bismuth trichloride

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    #  Species Formula
  8203 Bismuth chlorideClBi
  8204 Dimethyl bismuth chlorideC2H6ClBi
  8205 Dimethyl bismuth chloride (Geo)C2H6ClBi
  8206 Diethyl bismuth chlorideC4H10ClBi
  8207 Diethyl bismuth chloride (Geo)C4H10ClBi
  8208 Bi(III)N2CCl2 (EDIGED) (Geo)C11H11N2Cl2Bi
  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 trichloride Cl3Bi
  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


ΔHf: -40.4 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.
Dipole: 4.6 Debye,     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.
  
 PM7
Bismuth trichloride
 H=-40.4 HR=PW91D D=4.6 DR=PW91D S=85.78 CP=19.05
 Bi     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.35409965 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.35316986 +1   96.6728534 +1    0.0000000 +0     1     2     0
 Cl     2.35325410 +1   96.6763722 +1   98.0700417 +1     1     2     3