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

gold(iii)(nh3)4r   7811 Gold(III)(NH3)4 (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  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
  7820 Dimethyl gold(III) hydroxideC2H7OAu
  7821 Gold(I)(H2O)2 (Geo)H4O2Au


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.
  
 CHARGE=3 PULAY SHIFT=80 SYMMETRY PM7
Gold(III)(NH3)4
 <Au-N> GR=PW91D
 Au     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.17315600 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.17315600 +0   90.2002930 +0    0.0000000 +0     1     2     0
  N     2.17315600 +0   89.8067570 +0 -179.5165520 +0     1     2     3
  N     2.17315600 +0   90.1918330 +0 -179.7870350 +0     1     4     2
  H     1.03788690 +1  108.8263434 +1   72.9576311 +1     2     1     3
  H     1.03389536 +1  109.9363414 +1  120.0577210 +1     2     1     6
  H     1.03785347 +1  108.8242347 +1 -106.4969723 +1     5     1     3
  H     1.03390025 +1  109.9569750 +1  120.0851108 +1     5     1     8
  H     1.03392361 +1  109.9115504 +1  -11.8894216 +1     3     1     2
  H     1.03643329 +1  108.9880550 +1 -119.1540542 +1     3     1    10
  H     1.03388714 +1  109.9009223 +1  167.8868614 +1     4     1     2
  H     1.03645121 +1  108.9970613 +1 -119.1556711 +1     4     1    12
  H     1.03646030 +1  109.0087801 +1  119.0846935 +1     2     1     7
  H     1.03786880 +1  108.8635352 +1 -120.8405330 +1     3     1    11
  H     1.03787222 +1  108.8709778 +1 -120.8567715 +1     4     1    13
  H     1.03640700 +1  109.0012701 +1  119.0934407 +1     5     1     9