Accuracy

scbrr   4196 Scandium(I) bromide (Geo)

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    #  Species Formula
  4186 Potassium bromide (Geo)KBr
  4187 Potassium bromideKBr
  4188 K(+)(H2O)5.Br (Geo)H10O5KBr
  4189 K(+)(H2O)5.BrH10O5KBr
  4190 Calcium monobromide (Geo)CaBr
  4191 Calcium monobromideCaBr
  4192 Calcium hydroxide bromideHOCaBr
  4193 Ca(++)(H2O)5.BrH10O5CaBr
  4194 Ca(++)(H2O)5.Br (Geo)H10O5CaBr
  4195 Scandium(I) bromideScBr
  4196 Scandium(I) bromide (Geo) ScBr
  4197 Scandium(III) oxide bromideOScBr
  4198 Scandium(III) oxide bromide (Geo)OScBr
  4199 Scandium F Cl Br (Geo)FClScBr
  4200 Titanium(I) bromide (Geo)TiBr
  4201 Titanium(I) bromideTiBr
  4202 Vanadium(I) bromideVBr
  4203 Vanadium(I) bromide (Geo)VBr
  4204 Vanadium(V) bromide dioxideO2VBr
  4205 Vanadium(V) bromide dioxide (Geo)O2VBr
  4206 V(IV)O5N (AVIDUE) (Geo)C9H10NO6VBr


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(I) bromide
 <Sc-Br> GR=PW91D
 Sc     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.39801500 +1    0.0000000 +0    0.0000000 +0     1     0     0