Accuracy

gold(i) di-cyanide, anion   7806 Gold(I) di-cyanide, anion

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    #  Species Formula
  7796 AuH (Geo)HAu
  7797 Methyl gold(I) (Geo)CH3Au
  7798 Methyl gold(I)CH3Au
  7799 Trimethyl gold(III)C3H9Au
  7800 Amino gold(I)H2NAu
  7801 Amino gold(I) (Geo)H2NAu
  7802 Dimethyl gold(III) amine (Geo)C2H8NAu
  7803 Dimethyl gold(III) amineC2H8NAu
  7804 Gold(I) di-cyanide, anion (Geo)C2N2Au
  7805 Au(I)(CN)2(-) (JEYXAM) (Geo)C2N2Au
  7806 Gold(I) di-cyanide, anion C2N2Au
  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)4C4N4Au
  7815 Au(I)N4(+) (AZEGIV) (Geo)C14H22N4Au
  7816 Gold(I) oxide, anion (Geo)OAu


ΔHf: 54.9 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.
I.P.: 2.8 eV,     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 PM7
Gold(I) di-cyanide, anion
 I=2.759 IR=PW91D H=54.9 HR=PW91D
 Au     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.12301085 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.16430507 +1  179.9997568 +1  180.0000000 +0     2     1     0
  C     2.12301086 +1  179.9998824 +1    0.0000000 +1     1     2     3
  N     1.16430507 +1  179.9998971 +1  180.0000000 +1     4     1     2