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

triamino gold(iii)   7810 Triamino gold(III)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  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
  7820 Dimethyl gold(III) hydroxideC2H7OAu


ΔHf: 126.0 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: 3.0 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.
  
 PULAY PM7
Triamino gold(III)
 H=126.0 HR=PW91D D=3.017 DR=PW91D
 Au     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.75098224 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.92921666 +1   86.3289221 +1    0.0000000 +0     1     2     0
  N     1.90807355 +1   99.5911774 +1 -179.9423577 +1     1     2     3
  H     1.06761832 +1  103.0587259 +1  -53.1989423 +1     2     1     3
  H     1.02859851 +1  103.9314125 +1 -123.1238271 +1     3     1     2
  H     1.02527247 +1  105.2770053 +1  -60.0448941 +1     4     1     2
  H     1.06723660 +1  103.0068018 +1  107.6854270 +1     2     1     5
  H     1.02907891 +1  103.6696106 +1 -110.1033568 +1     3     1     6
  H     1.02470726 +1  105.8442205 +1  110.9071144 +1     4     1     7