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

Au(I)SBr (GIGWAU)   7858 Au(I)SBr (GIGWAU)

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    #  Species Formula
  7848 Methyl gold(III) dichloride (Geo)CH3Cl2Au
  7849 Au(III)Cl2N2(+) (BATTOF) (Geo)C11H10N2O2Cl2Au
  7850 Au(III)Cl2ON (KUDNAY) (Geo)C6H3NO3Cl2Au
  7851 Au(III)NCl3 (PYAUCL10) (Geo)C5H5NCl3Au
  7852 Au(III)NCl3 (HIHCIK) (Geo)C6H7NOCl3Au
  7853 Au(III)Cl4(-) (BENYAU) (Geo)Cl4Au
  7854 Gold(iii) tetrachloride, anionCl4Au
  7855 Gold(I) bromide (Geo)BrAu
  7856 Gold(I) bromideBrAu
  7857 Au(I)SBr (GIGWAU) (Geo)C2H6SBrAu
  7858 Au(I)SBr (GIGWAU) C2H6SBrAu
  7859 Au(I)Br2(-) (DOYMAF) (Geo)Br2Au
  7860 Gold(I) dibromide, anionBr2Au
  7861 Au(III)Br3P (BRMPAU) (Geo)C3H9PBr3Au
  7862 Au(III)SBr3 (GIGWEY) (Geo)C2H6SBr3Au
  7863 Au(III)Br4(-) (BENBEC) (Geo)Br4Au
  7864 Gold(iii) tetrabromide, anionBr4Au
  7865 Gold(I) iodide (Geo)IAu
  7866 Gold(I) iodideIAu
  7867 Au(I)I2(-) (GANJUA) (Geo)I2Au
  7868 Gold(I) diiodide, anionI2Au


ΔHf: 10.7 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.
  
 PM7
Au(I)SBr (GIGWAU)
 H=10.7 HR=PW91D
 Au     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.34078053 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     2.43552015 +1  178.8164762 +1  180.0000000 +0     1     2     0
  C     1.83650040 +1  103.3949249 +1 -135.2726708 +1     3     1     2
  C     1.83654108 +1  103.3298554 +1 -104.8068413 +1     3     1     4
  H     1.09545747 +1  113.2792851 +1  -48.2448933 +1     4     3     1
  H     1.09755706 +1  110.9441037 +1 -122.0142663 +1     4     3     6
  H     1.09937237 +1  108.8312149 +1 -118.3950379 +1     4     3     7
  H     1.09546253 +1  113.2826130 +1   49.1967220 +1     5     3     1
  H     1.09758353 +1  110.9132142 +1  121.9665742 +1     5     3     9
  H     1.09936693 +1  108.8530452 +1  118.3904759 +1     5     3    10