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

vanadium(v) bromide dioxide   4206 Vanadium(V) bromide dioxide

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    #  Species Formula
  4196 Ca(++)(H2O)5.Br (Geo)H10O5CaBr
  4197 Scandium(I) bromideScBr
  4198 Scandium(I) bromide (Geo)ScBr
  4199 Scandium(III) oxide bromideOScBr
  4200 Scandium(III) oxide bromide (Geo)OScBr
  4201 Scandium F Cl Br (Geo)FClScBr
  4202 Titanium(I) bromide (Geo)TiBr
  4203 Titanium(I) bromideTiBr
  4204 Vanadium(I) bromideVBr
  4205 Vanadium(I) bromide (Geo)VBr
  4206 Vanadium(V) bromide dioxide O2VBr
  4207 Vanadium(V) bromide dioxide (Geo)O2VBr
  4208 V(IV)O5N (AVIDUE) (Geo)C9H10NO6VBr
  4209 Chromium(I) bromideCrBr
  4210 Chromium(I) bromide (Geo)CrBr
  4211 Manganese(I) bromideMnBr
  4212 Manganese(I) bromide (Geo)MnBr
  4213 Mn(CO)5BrC5O5MnBr
  4214 Iron(I) bromide (Geo)FeBr
  4215 Iron(I) bromideFeBr
  4216 FeC6Br (ALCFEA) (Geo)C6H5O3FeBr


Dipole: 3.3 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.
I.P.: 7.4 eV,     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
Vanadium(V) bromide dioxide
 I=7.38 IR=PW91D D=3.29 DR=PW91D
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.32130130 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.53785087 +1  114.1766493 +1    0.0000000 +0     1     2     0
  O     1.53785851 +1  114.1241760 +1  179.9397986 +1     1     2     3