Accuracy

sb2i4r   6222 Sb2I4 (Geo)

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    #  Species Formula
  6212 Rhodium(V) tetraiodideRhI4
  6213 Palladium(II) tetraiodidePdI4
  6214 Palladium(II) tetraiodide (Geo)PdI4
  6215 Cd(II)I4(2-) (HIBRUF) (Geo)CdI4
  6216 Cd(II)I4(2-) (HIBRUF)CdI4
  6217 In(III)I4(-) (AHOMIT) (Geo)InI4
  6218 In(III)I4(-) (AHOMIT)InI4
  6219 Sb(III)I4(-) (PICOIA) (Geo)SbI4
  6220 Sb(III)I4(-) (PICOIA)SbI4
  6221 Sb2I4Sb2I4
  6222 Sb2I4 (Geo) Sb2I4
  6223 Te(II)I4(2-) (DAMFIG) (Geo)TeI4
  6224 Te(II)I4(2-) (DAMFIG)TeI4
  6225 Te(IV)CI4(-) (IJOJAS) (Geo)C6H5TeI4
  6226 Te(IV)CI4(-) (IJOJAS)C6H5TeI4
  6227 vanadium(V) pentaiodideVI5
  6228 vanadium(V) pentaiodide (Geo)VI5
  6229 Aluminum triiodide (Al2I6) (Geo)Al2I6
  6230 Aluminum triiodide dimerAl2I6
  6231 Scandium(III) hexaiodide (Geo)ScI6
  6232 Titanium(IV) hexaiodide (Geo)TiI6


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
Sb2I4
 <Sb-Sb> <Sb-I> GR=PW91D
 Sb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Sb     2.96993400 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.77654300 +1   95.6077597 +1    0.0000000 +0     2     1     0
  I     2.72340569 +1   95.2721920 +1  102.5583198 +1     2     1     3
  I     2.72202365 +1   96.6492250 +1  -49.0247461 +1     1     2     3
  I     2.72707916 +1   95.0710931 +1  103.5051417 +1     1     2     5