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

hafnium(iv) oxide dibromide   7257 Hafnium(IV) oxide dibromide

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    #  Species Formula
  7247 Hf(IV)O2Cl4 (VEHZAJ)C8H16O2Cl4Hf
  7248 Hf(IV)Cl6(2-) (BARWIB) (Geo)Cl6Hf
  7249 Hf(IV)Cl6(2-) (BARWIB)Cl6Hf
  7250 Hafnium(IV) hexachloride, dianion (Geo)Cl6Hf
  7251 Hafnium(I) bromideBrHf
  7252 Hafnium(I) bromide (Geo)BrHf
  7253 Trimethyl hafnium bromide (Geo)C3H9BrHf
  7254 Trimethyl hafnium bromideC3H9BrHf
  7255 Hf(IV)(Cp)2Br2 (VIVMUI) (Geo)C20H30Br2Hf
  7256 Hf(IV)(Cp)2Br2 (VIVMUI)C20H30Br2Hf
  7257 Hafnium(IV) oxide dibromide OBr2Hf
  7258 Hafnium(IV) tetrabromideBr4Hf
  7259 Hafnium(IV) tetrabromide (Geo)Br4Hf
  7260 Hafnium(IV) hexabromideBr6Hf
  7261 Hafnium(IV) hexabromide (Geo)Br6Hf
  7262 Hafnium(I) iodideIHf
  7263 Hafnium(I) iodide (Geo)IHf
  7264 Trimethyl hafnium iodide (Geo)C3H9IHf
  7265 Trimethyl hafnium iodideC3H9IHf
  7266 Hafnium(IV) oxide diiodideOI2Hf
  7267 Hafnium(IV) hexaiodide, dianionI6Hf


ΔHf: -148.0 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: 2.5 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.
  
 PULAY PM7
Hafnium(IV) oxide dibromide
 D=2.511 DR=PW91D H=-148.0 HR=PW91D
 Br     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Hf     2.46144811 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.46300061 +1   96.4849918 +1    0.0000000 +0     2     1     0
  O     1.75244183 +1   97.6297078 +1  -98.3865577 +1     2     1     3