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

palladium(ii) tetraiodide   6214 Palladium(II) tetraiodide

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    #  Species Formula
  6204 GeI4 (JEDXEV)GeI4
  6205 Germanium tetraiodide (Geo)GeI4
  6206 Germanium tetraiodideGeI4
  6207 Ge2C4I4 (IGECHD10) (Geo)C4H4Ge2I4
  6208 Ge2C4I4 (IGECHD10)C4H4Ge2I4
  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) tetraiodide PdI4
  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


ΔHf: -68.3 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.
I.P.: -2.0 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.
  
 SYMMETRY CHARGE=-2 PULAY SHIFT=80 PM7
Palladium(II) tetraiodide
 H=-68.3 HR=PW91D I=-2.04 IR=PW91D
 Pd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.78835489 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.78835489 +1   90.0000000 +1    0.0000000 +0     1     2     0
  I     2.78835489 +1   90.0000000 +1 -180.0000000 +1     1     2     3
  I     2.78835489 +1   90.0000000 +1 -180.0000000 +1     1     4     2