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

cuoir   5939 Copper(III) oxide iodide (Geo)

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    #  Species Formula
  5929 Co(III)IS2Cp (GECVEP)C10H15NS2CoI
  5930 Methylcobalt chloride iodide (Geo)CH3ClCoI
  5931 Nickel(I) iodideNiI
  5932 Nickel(I) iodide (Geo)NiI
  5933 Methyl nickel(II) iodideCH3NiI
  5934 Methyl nickel(II) iodide (Geo)CH3NiI
  5935 Nickel I Cl (Geo)ClNiI
  5936 Copper(I) iodideCuI
  5937 Copper(I) iodide (Geo)CuI
  5938 Copper(III) oxide iodideOCuI
  5939 Copper(III) oxide iodide (Geo) OCuI
  5940 Zn(II)N4I(+) (ZNETAM10) (Geo)C6H18N4ZnI
  5941 Zn(II)N4I(+) (ZNETAM10)C6H18N4ZnI
  5942 Gallium iodide (Geo)GaI
  5943 Gallium iodideGaI
  5944 GaH3-HI, complex (Geo)H4GaI
  5945 Iodogermane (Geo)H3GeI
  5946 IodogermaneH3GeI
  5947 GeO2I (IACGER) (Geo)C5H7O2GeI
  5948 GeO2I (IACGER)C5H7O2GeI
  5949 GeC2S2I (KADKUV) (Geo)C5H12NS2GeI


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
Copper(III) oxide iodide
 <Cu=O> <Cu-I> GR=PW91D
 Cu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.70556500 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.41619000 +1   54.4869242 +1    0.0000000 +0     1     2     0