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

scandium(i) bromide   4197 Scandium(I) bromide

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    #  Species Formula
  4187 Argon bromide anion (Geo)ArBr
  4188 Potassium bromide (Geo)KBr
  4189 Potassium bromideKBr
  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) bromide ScBr
  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


ΔHf: 24.7 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: 3.1 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.: 4.1 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.
  
 PM7
Scandium(I) bromide
 I=4.11 IR=PW91D D=3.11 DR=PW91D H=24.67 HR=PW91D
 Sc     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.39062071 +1    0.0000000 +0    0.0000000 +0     1     0     0