Accuracy

sc_fclbrr   4199 Scandium F Cl Br (Geo)

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    #  Species Formula
  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
  4207 Chromium(I) bromideCrBr
  4208 Chromium(I) bromide (Geo)CrBr
  4209 Manganese(I) bromideMnBr


REF: DGAUSS using the Lee-Parr-Yang correlation functional, in CAChe 5.0, Fujitsu Ltd, 2001.
  
 PM7
Scandium F Cl Br
 <Sc-F> <Sc-Cl><> <Sc-Br> GR=B88_LYP
  F     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Sc     1.85100000 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.32000000 +1  117.1633220 +1    0.0000000 +0     2     1     0
 Br     2.46200000 +1  121.3278416 +1  180.0000000 +1     2     1     3