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

niobium(v) tetraiodide, cation   6211 Niobium(V) tetraiodide, cation

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    #  Species Formula
  6201 Ga(III)4I4S6 (CIFMOT) (Geo)C4H12S6Ga4I4
  6202 Ga(III)4I4S6 (CIFMOT)C4H12S6Ga4I4
  6203 GeI4 (JEDXEV) (Geo)GeI4
  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, cation NbI4
  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


ΔHf: 146.3 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.: 11.1 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.
  
 CHARGE=1 PULAY PM7
Niobium(V) tetraiodide, cation
 I=11.096 IR=PW91D H=146.3 HR=PW91D
  I     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Nb     2.60724306 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.60729072 +1  109.4985687 +1    0.0000000 +0     2     1     0
  I     2.60718114 +1  109.4369277 +1 -119.9386457 +1     2     1     3
  I     2.60726820 +1  109.4800624 +1 -119.9444512 +1     2     1     4