Accuracy

Au(III)(CN)4   7814 Au(III)(CN)4

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  7804 Gold(I) di-cyanide, anion (Geo)C2N2Au
  7805 Au(I)(CN)2(-) (JEYXAM) (Geo)C2N2Au
  7806 Gold(I) di-cyanide, anionC2N2Au
  7807 Au(I)C2 (CYMIAU) (Geo)C3H3N2Au
  7808 Triamino gold(III) (Geo)H6N3Au
  7809 Triamino gold(III)H6N3Au
  7810 Gold(III)(NH3)4 (Geo)H12N4Au
  7811 Gold(I)(NH3)4H12N4Au
  7812 Gold(I)(NH3)4 (Geo)H12N4Au
  7813 Au(III)(CN)4 (Geo)C4N4Au
  7814 Au(III)(CN)4 C4N4Au
  7815 Au(I)N4(+) (AZEGIV) (Geo)C14H22N4Au
  7816 Gold(I) oxide, anion (Geo)OAu
  7817 Gold(I) oxide, anionOAu
  7818 Dimethyl gold(III) hydroxide (Geo)C2H7OAu
  7819 Dimethyl gold(III) hydroxideC2H7OAu
  7820 Gold(I)(H2O)2 (Geo)H4O2Au
  7821 Gold(I)(H2O)4H8O4Au
  7822 Gold(I)(H2O)4 (Geo)H8O4Au
  7823 Gold tetracarbonyl, cation (Geo)C4O4Au
  7824 Gold tetracarbonyl, cationC4O4Au


ΔHf: 155.3 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.
  
 CHARGE=-1 UHF PM7
Au(III)(CN)4
 H=155.3 HR=PW91D
 Au     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.98588126 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.98584042 +1  179.9509280 +0    0.0000000 +0     1     2     0
  C     1.98615212 +1   90.2011890 +0 -133.7857320 +1     1     2     3
  C     1.98589130 +1   89.8387947 +1  179.9790070 +0     1     2     4
  N     1.15920477 +1  179.6547141 +1  -54.0502323 +1     2     1     4
  N     1.15950480 +1  179.7335571 +1 -123.5858800 +1     3     1     4
  N     1.15941157 +1  135.4540960 +1 -179.9798250 +1     4     2     1
  N     1.15938430 +1  134.5817088 +1 -179.8867082 +1     5     2     1