Accuracy

bi2f6   8243 Bi2F6

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    #  Species Formula
  8233 Bismuth triiodideI3Bi
  8234 Bi(III)N3I3 (BIMCUV) (Geo)C15H15N3I3Bi
  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 Bi2F6 F6Bi2
  8244 Bi2F6 (Geo)F6Bi2
  8245 Bi2Cl4Cl4Bi2
  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


ΔHf: -200.8 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
Bi2F6
 H=-200.8 HR=PW91D
 Bi     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Bi     3.48384355 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     2.06003057 +1   32.1435234 +1    0.0000000 +0     1     2     0
  F     2.05221095 +1   32.1554534 +1  178.2686187 +1     2     1     3
  F     1.71825829 +1  105.1557490 +1  -88.3171686 +1     1     2     3
  F     1.71976745 +1  103.4169725 +1 -179.7336476 +1     1     2     5
  F     1.72057313 +1  105.6114545 +1  -88.4264761 +1     2     1     4
  F     1.71942891 +1  104.4732546 +1  179.4371211 +1     2     1     7