Accuracy

Au(III)NCl3 (PYAUCL10) r   7850 Au(III)NCl3 (PYAUCL10) (Geo)

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    #  Species Formula
  7840 Au(IV)S4 (JEKGAH)C12H8S4Au
  7841 Gold(I) chloride (Geo)ClAu
  7842 Gold(I) chlorideClAu
  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
  7853 Gold(iii) tetrachloride, anionCl4Au
  7854 Gold(I) bromide (Geo)BrAu
  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


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 UHF PULAY PM7
Au(III)NCl3 (PYAUCL10)
 <Au-Cl> <Au-Cl><> <Au-Cl><><> <Au-N> GR=CCDC
 Au     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.28868000 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.26340200 +1   91.2434999 +1    0.0000000 +0     1     2     0
 Cl     2.28302600 +1   91.2357907 +1  179.9958300 +1     1     3     2
  N     1.99617100 +1   88.8344701 +1  179.5843876 +1     1     2     3
  C     1.36093725 +1  119.9836520 +1  123.7330860 +1     5     1     2
  C     1.39894491 +1  120.7580256 +1  179.2330598 +1     6     5     1
  C     1.39357774 +1  119.3635285 +1   -0.1792730 +1     7     6     5
  C     1.39347512 +1  119.4280378 +1    0.2240986 +1     8     7     6
  C     1.36088054 +1  119.6843096 +1  179.2778513 +1     5     1     6
  H     1.10455152 +1  117.1078554 +1 -179.5451250 +1     6     5     7
  H     1.09165752 +1  119.5903290 +1 -179.7681997 +1     7     6     8
  H     1.09345790 +1  120.2658220 +1  179.9644580 +1     8     7     9
  H     1.09155742 +1  121.0926264 +1  179.8246407 +1     9     8     7
  H     1.10473604 +1  117.1249118 +1    1.2316836 +1    10     5     1