Accuracy

Gold(iii) tetraiodide, anion   7869 Gold(iii) tetraiodide, anion

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    #  Species Formula
  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) iodideIAu
  7866 Au(I)I2(-) (GANJUA) (Geo)I2Au
  7867 Gold(I) diiodide, anionI2Au
  7868 Au(III)I4(-) (GEJQUH) (Geo)I4Au
  7869 Gold(iii) tetraiodide, anion I4Au
  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
  7876 Au(III)2C4S2 (CULYIR)C8H22S2Au2
  7877 Au(II)2C4Cl2 (EMPLAU) (Geo)C12H28P2Cl2Au2
  7878 Au(II)2C5I (BIBPIL) (Geo)C9H23P2IAu2
  7879 Au(I)2P2I2 (FUWFIM) (Geo)C6H18P2I2Au2


ΔHf: -26.8 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.
  
 UHF CHARGE=-1 PM7
Gold(iii) tetraiodide, anion
 H=-26.8 HR=PW91D
 Au     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.79572967 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.79572101 +1   90.0093978 +1    0.0000000 +0     1     2     0
  I     2.79571534 +1   90.0048743 +1 -179.9990937 +1     1     3     2
  I     2.79571497 +1   90.0039119 +1  179.9967746 +1     1     2     3