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

iri4r   7648 Iridium(V) tetraiodide, cation (Geo)

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    #  Species Formula
  7638 Iridium(V) tetrabromide, cationBr4Ir
  7639 Ir(III)Br6 d6 (Geo)Br6Ir
  7640 Iridium(III) hexabromide (Geo)Br6Ir
  7641 Iridium(III) hexabromideBr6Ir
  7642 Iridium(I) iodideIIr
  7643 Iridium(I) iodide (Geo)IIr
  7644 Iridium(III) oxide iodideOIIr
  7645 Iridium(III) oxide iodide (Geo)OIIr
  7646 IrC4O2(Me)I (VAZBED) (Geo)C14H22O2IIr
  7647 Ir(Cp*)I3 (Geo)C10H15I3Ir
  7648 Iridium(V) tetraiodide, cation (Geo) I4Ir
  7649 Iridium(V) tetraiodide, cationI4Ir
  7650 Iridium(III) hexaiodide (Geo)I6Ir
  7651 Iridium(III) hexaiodideI6Ir
  7652 Ir2(CO)8C8O8Ir2
  7653 Ir2(CO)8 (Geo)C8O8Ir2
  7654 Ir2(Cp*)2I3(+) (Geo)C20H30I3Ir2
  7655 Platinum, cationPt
  7656 Platinum, 1D(g) 5d(8)6s(2)Pt
  7657 Platinum, 1D(g) 5d(9)6s(1)Pt
  7658 Platinum, 1G(g) 5d(8)6s(2)Pt


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
Iridium(V) tetraiodide, cation
 <Ir-I> GR=PW91D
  I     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Ir     2.54163200 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.84706798 +1  108.6904807 +1    0.0000000 +0     2     1     0
  I     2.84730409 +1  108.9555385 +1  120.2466773 +1     2     1     3
  I     2.84691518 +1  108.6228289 +1  120.0631178 +1     2     1     4