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

au(nh2)3r   7809 Triamino gold(III) (Geo)

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    #  Species Formula
  7799 Methyl gold(I)CH3Au
  7800 Trimethyl gold(III)C3H9Au
  7801 Amino gold(I)H2NAu
  7802 Amino gold(I) (Geo)H2NAu
  7803 Dimethyl gold(III) amine (Geo)C2H8NAu
  7804 Dimethyl gold(III) amineC2H8NAu
  7805 Gold(I) di-cyanide, anion (Geo)C2N2Au
  7806 Au(I)(CN)2(-) (JEYXAM) (Geo)C2N2Au
  7807 Gold(I) di-cyanide, anionC2N2Au
  7808 Au(I)C2 (CYMIAU) (Geo)C3H3N2Au
  7809 Triamino gold(III) (Geo) H6N3Au
  7810 Triamino gold(III)H6N3Au
  7811 Gold(III)(NH3)4 (Geo)H12N4Au
  7812 Gold(I)(NH3)4H12N4Au
  7813 Gold(I)(NH3)4 (Geo)H12N4Au
  7814 Au(III)(CN)4 (Geo)C4N4Au
  7815 Au(III)(CN)4C4N4Au
  7816 Au(I)N4(+) (AZEGIV) (Geo)C14H22N4Au
  7817 Gold(I) oxide, anion (Geo)OAu
  7818 Gold(I) oxide, anionOAu
  7819 Dimethyl gold(III) hydroxide (Geo)C2H7OAu


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
Triamino gold(III)
 <Au-N> <> <N-Au-N> <Au-N'> GR=PW91D
 Au     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.08470600 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.66951156 +1  158.1357840 +1    0.0000000 +0     1     2     0
  N     2.11371000 +1  122.1609657 +1 -178.5377986 +1     1     2     3
  H     1.00880371 +1  104.2302944 +1  140.6865627 +1     2     1     3
  H     1.07712485 +1  107.9311713 +1 -121.0543982 +1     3     1     2
  H     1.01663938 +1   98.8050799 +1   56.4424187 +1     4     1     2
  H     1.00982838 +1  104.2606016 +1  111.3102780 +1     2     1     5
  H     1.07754056 +1  108.4765598 +1 -110.0738944 +1     3     1     6
  H     1.01638714 +1   98.5699904 +1 -108.5581148 +1     4     1     7