Accuracy

gold(i) iodide   7865 Gold(I) iodide

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    #  Species Formula
  7855 Gold(I) bromideBrAu
  7856 Au(I)SBr (GIGWAU) (Geo)C2H6SBrAu
  7857 Au(I)SBr (GIGWAU)C2H6SBrAu
  7858 Au(I)Br2(-) (DOYMAF) (Geo)Br2Au
  7859 Gold(I) dibromide, anionBr2Au
  7860 Au(III)Br3P (BRMPAU) (Geo)C3H9PBr3Au
  7861 Au(III)SBr3 (GIGWEY) (Geo)C2H6SBr3Au
  7862 Au(III)Br4(-) (BENBEC) (Geo)Br4Au
  7863 Gold(iii) tetrabromide, anionBr4Au
  7864 Gold(I) iodide (Geo)IAu
  7865 Gold(I) iodide IAu
  7866 Au(I)I2(-) (GANJUA) (Geo)I2Au
  7867 Gold(I) diiodide, anionI2Au
  7868 Au(III)I4(-) (GEJQUH) (Geo)I4Au
  7869 Gold(iii) tetraiodide, anionI4Au
  7870 Gold, dimer (Geo)Au2
  7871 Gold, dimerAu2
  7872 Au(III)2C4N2 (DEVLUL) (Geo)C6H20N2Au2
  7873 Au(III)2C4N2 (DEVLUL)C6H20N2Au2
  7874 Au(I)2P4 (DUKREG01) (Geo)C10H28P4Au2
  7875 Au(III)2C4S2 (CULYIR) (Geo)C8H22S2Au2


ΔHf: 69.0 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.
Dipole: 2.2 Debye,     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
Gold(I) iodide
 D=2.208 DR=PW91D H=69.0 HR=PW91D
 Au     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.74799901 +1    0.0000000 +0    0.0000000 +0     1     0     0