Accuracy

bi2f4   8241 Bi2F4

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    #  Species Formula
  8231 Bi(III)Cl2I2(-) (JAJFEG)Cl2I2Bi
  8232 Bismuth triiodide (Geo)I3Bi
  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 Bi2F4 F4Bi2
  8242 Bi2F4 (Geo)F4Bi2
  8243 Bi2F6F6Bi2
  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


ΔHf: -127.5 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
Bi2F4
 H=-127.5 HR=PW91D
 Bi     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Bi     2.22872265 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     2.14640761 +1   58.7002981 +1    0.0000000 +0     2     1     0
  F     1.62908335 +1  179.5651333 +1  143.0851204 +1     2     1     3
  F     1.62915634 +1  179.4454416 +1  159.5530133 +1     1     2     3
  F     2.14877103 +1   58.6834347 +1   20.3017250 +1     1     2     5