Accuracy

gold(i) bromide   7855 Gold(I) bromide

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    #  Species Formula
  7845 Au(I)Cl2(-) (GANJOU) (Geo)Cl2Au
  7846 Gold(I) dichloride, anionCl2Au
  7847 Methyl gold(III) dichloride (Geo)CH3Cl2Au
  7848 Au(III)Cl2N2(+) (BATTOF) (Geo)C11H10N2O2Cl2Au
  7849 Au(III)Cl2ON (KUDNAY) (Geo)C6H3NO3Cl2Au
  7850 Au(III)NCl3 (PYAUCL10) (Geo)C5H5NCl3Au
  7851 Au(III)NCl3 (HIHCIK) (Geo)C6H7NOCl3Au
  7852 Au(III)Cl4(-) (BENYAU) (Geo)Cl4Au
  7853 Gold(iii) tetrachloride, anionCl4Au
  7854 Gold(I) bromide (Geo)BrAu
  7855 Gold(I) bromide BrAu
  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) iodideIAu


ΔHf: 62.8 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.
Dipole: 2.9 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) bromide
 D=2.87 DR=PW91D H=62.8 HR=PW91D
 Au     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.30345980 +1    0.0000000 +0    0.0000000 +0     1     0     0