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

tungsten(vi) dioxide dibromide   7397 Tungsten(VI) dioxide dibromide

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    #  Species Formula
  7387 Tungsten(VI) oxide tetrachlorideOCl4W
  7388 Tungsten(VI) oxide tetrachloride (Geo)OCl4W
  7389 Tungsten hexachlorideCl6W
  7390 Tungsten(VI) hexachloride (Geo)Cl6W
  7391 Tungsten(I) bromideBrW
  7392 Tungsten(I) bromide (Geo)BrW
  7393 WC6 (BMCBCW) (Geo)C6H3O4BrW
  7394 WC6 (BMCBCW)C6H3O4BrW
  7395 Bicyclopentadienyl tungsten dibromideC10H10Br2W
  7396 Tungsten(VI) dibromide dioxideO2Br2W
  7397 Tungsten(VI) dioxide dibromide O2Br2W
  7398 Tungsten(VI) dibromide dioxide (Geo)O2Br2W
  7399 Tungsten(VI) hexabromideBr6W
  7400 Tungsten(I) iodideIW
  7401 Tungsten(I) iodide (Geo)IW
  7402 Bicyclopentadienyl tungsten iodide hydrideC10H11IW
  7403 Bicyclopentadienyl tungsten diiodideC10H10I2W
  7404 Tungsten(VI) diiodide dioxideO2I2W
  7405 Tungsten(VI) diiodide dioxide (Geo)O2I2W
  7406 WC3I2P (BOGBII) (Geo)C7H9O4PI2W
  7407 Tungsten(VI) hexaiodide (Geo)I6W


Dipole: 2.6 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.: 7.9 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.
  
 SYMMETRY PM7
Tungsten(VI) dioxide dibromide
 D=2.553 DR=PW91D I=7.870 IR=PW91D
  W     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.75500675 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.43396166 +1   88.3819115 +1    0.0000000 +0     1     2     0
  O     1.75500675 +0  136.5662092 +1   90.0000000 +0     1     2     3
 Br     2.43396166 +0  120.2013148 +1   90.0000000 +0     1     3     2