Accuracy

bi2cl4   8245 Bi2Cl4

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    #  Species Formula
  8235 Bi(III)N3I3 (BIMCUV)C15H15N3I3Bi
  8236 Bi(III)I4(-) (PICIBI) (Geo)I4Bi
  8237 Bi(III)I4(-) (PICIBI)I4Bi
  8238 Bi(III)I6(3-) (KOQCAU) (Geo)I6Bi
  8239 Bi(III)I6(3-) (KOQCAU)I6Bi
  8240 Bismuth, dimerBi2
  8241 Bi2F4F4Bi2
  8242 Bi2F4 (Geo)F4Bi2
  8243 Bi2F6F6Bi2
  8244 Bi2F6 (Geo)F6Bi2
  8245 Bi2Cl4 Cl4Bi2
  8246 Bi2Cl4 (Geo)Cl4Bi2
  8247 Bi2Cl6Cl6Bi2
  8248 Bi2Cl6 (Geo)Cl6Bi2
  8249 Bi(III)Cl5(2-) (KAMWOK) (Geo)Cl8Bi2
  8250 Bi(III)Cl5(2-) (KAMWOK)Cl8Bi2
  8251 Bi2Br4Br4Bi2
  8252 Bi2Br4 (Geo)Br4Bi2
  8253 Bi2Br6Br6Bi2
  8254 Bi2Br6 (Geo)Br6Bi2
  8255 Bi2I4I4Bi2


ΔHf: -61.4 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.
  
 PM7
Bi2Cl4
 H=-61.4 HR=PW91D
 Bi     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Bi     3.36782744 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.37042475 +1   92.9311435 +1    0.0000000 +0     2     1     0
 Cl     2.36936594 +1   93.1711939 +1  -96.8051150 +1     2     1     3
 Cl     2.36918889 +1   93.1727753 +1  175.6768654 +1     1     2     3
 Cl     2.37033355 +1   92.9245055 +1   96.9930514 +1     1     2     5