Accuracy

gold(i) chloride   7842 Gold(I) chloride

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    #  Species Formula
  7832 Gold(III) tetrafluoride, anionF4Au
  7833 Gold(III) difluoride thiol (Geo)HF2SAu
  7834 Gold(III) difluoride thiolHF2SAu
  7835 Au(Me2S)2C4H12S2Au
  7836 Au(Me2S)2 (Geo)C4H12S2Au
  7837 Au(I)S2(+) (AFAWUZ) (Geo)C2H8N4S2Au
  7838 Au(I)S2(+) (AFAWUZ)C2H8N4S2Au
  7839 Au(IV)S4 (JEKGAH) (Geo)C12H8S4Au
  7840 Au(IV)S4 (JEKGAH)C12H8S4Au
  7841 Gold(I) chloride (Geo)ClAu
  7842 Gold(I) chloride ClAu
  7843 Au(III)N3Cl(2+) (AEMAUP) (Geo)C4H13N3ClAu
  7844 Au(I)SCl (GOJLAS) (Geo)C2H6SClAu
  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


ΔHf: 60.2 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: 3.5 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) chloride
 D=3.483 DR=PW91D H=60.2 HR=PW91D
 Au     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.39897796 +1    0.0000000 +0    0.0000000 +0     1     0     0