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

bi2cl4r   8247 Bi2Cl4 (Geo)

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    #  Species Formula
  8237 Bi(III)I4(-) (PICIBI) (Geo)I4Bi
  8238 Bi(III)I4(-) (PICIBI)I4Bi
  8239 Bi(III)I6(3-) (KOQCAU) (Geo)I6Bi
  8240 Bi(III)I6(3-) (KOQCAU)I6Bi
  8241 Bismuth, dimerBi2
  8242 Bi2F4F4Bi2
  8243 Bi2F4 (Geo)F4Bi2
  8244 Bi2F6F6Bi2
  8245 Bi2F6 (Geo)F6Bi2
  8246 Bi2Cl4Cl4Bi2
  8247 Bi2Cl4 (Geo) Cl4Bi2
  8248 Bi2Cl6Cl6Bi2
  8249 Bi2Cl6 (Geo)Cl6Bi2
  8250 Bi(III)Cl5(2-) (KAMWOK) (Geo)Cl8Bi2
  8251 Bi(III)Cl5(2-) (KAMWOK)Cl8Bi2
  8252 Bi2Br4Br4Bi2
  8253 Bi2Br4 (Geo)Br4Bi2
  8254 Bi2Br6Br6Bi2
  8255 Bi2Br6 (Geo)Br6Bi2
  8256 Bi2I4I4Bi2
  8257 Bi2I4 (Geo)I4Bi2


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
 <Bi-Bi> <Bi-Cl> GR=PW91D GWT=0.5
 Bi     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Bi     3.09417100 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.73420600 +1   88.1404244 +1    0.0000000 +0     2     1     0
 Cl     2.36368887 +1   94.8262494 +1  -94.3492967 +1     2     1     3
 Cl     2.37664817 +1   95.3580533 +1  173.2175147 +1     1     2     3
 Cl     2.37584545 +1   94.2259342 +1   96.2290397 +1     1     2     5