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

scobrr   4200 Scandium(III) oxide bromide (Geo)

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    #  Species Formula
  4190 K(+)(H2O)5.Br (Geo)H10O5KBr
  4191 K(+)(H2O)5.BrH10O5KBr
  4192 Calcium monobromide (Geo)CaBr
  4193 Calcium monobromideCaBr
  4194 Calcium hydroxide bromideHOCaBr
  4195 Ca(++)(H2O)5.BrH10O5CaBr
  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 dioxideO2VBr
  4207 Vanadium(V) bromide dioxide (Geo)O2VBr
  4208 V(IV)O5N (AVIDUE) (Geo)C9H10NO6VBr
  4209 Chromium(I) bromideCrBr
  4210 Chromium(I) bromide (Geo)CrBr


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
Scandium(III) oxide bromide
 <Sc=O> <Sc-Br> <O=Sc-Br> GR=PW91D
 Sc     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.69041200 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.50625100 +1  123.1709040 +1    0.0000000 +0     1     2     0