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

in(iii)i4(-) (ahomit)   6219 In(III)I4(-) (AHOMIT)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  6209 Zirconium tetraiodideZrI4
  6210 Niobium(V) tetraiodide, cation (Geo)NbI4
  6211 Niobium(V) tetraiodide, cationNbI4
  6212 Rhodium(V) tetraiodide (Geo)RhI4
  6213 Rhodium(V) tetraiodideRhI4
  6214 Palladium(II) tetraiodidePdI4
  6215 Palladium(II) tetraiodide (Geo)PdI4
  6216 Cd(II)I4(2-) (HIBRUF) (Geo)CdI4
  6217 Cd(II)I4(2-) (HIBRUF)CdI4
  6218 In(III)I4(-) (AHOMIT) (Geo)InI4
  6219 In(III)I4(-) (AHOMIT) InI4
  6220 Sb(III)I4(-) (PICOIA) (Geo)SbI4
  6221 Sb(III)I4(-) (PICOIA)SbI4
  6222 Sb2I4Sb2I4
  6223 Sb2I4 (Geo)Sb2I4
  6224 Te(II)I4(2-) (DAMFIG) (Geo)TeI4
  6225 Te(II)I4(2-) (DAMFIG)TeI4
  6226 Te(IV)CI4(-) (IJOJAS) (Geo)C6H5TeI4
  6227 Te(IV)CI4(-) (IJOJAS)C6H5TeI4
  6228 vanadium(V) pentaiodideVI5
  6229 vanadium(V) pentaiodide (Geo)VI5


ΔHf: -126.6 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.
  
 CHARGE=-1 PM7
In(III)I4(-) (AHOMIT)
 H=-126.6 HR=PW91D
 In     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.73421712 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.73418704 +1  109.5220212 +1    0.0000000 +0     1     2     0
  I     2.73419016 +1  109.4843576 +1 -120.0686649 +1     1     2     3
  I     2.73420961 +1  109.4256338 +1 -119.9555627 +1     1     2     4