Accuracy

gold tetracarbonyl, cation   7824 Gold tetracarbonyl, cation

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    #  Species Formula
  7814 Au(III)(CN)4C4N4Au
  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, cation C4O4Au
  7825 Gold(I) fluoride (Geo)FAu
  7826 Gold(I) fluorideFAu
  7827 Methyl gold(III) difluoride (Geo)CH3F2Au
  7828 Methyl gold(III) difluorideCH3F2Au
  7829 Gold(III) trifluoride (Geo)F3Au
  7830 Gold(III) trifluorideF3Au
  7831 Gold(III) tetrafluoride, anion (Geo)F4Au
  7832 Gold(III) tetrafluoride, anionF4Au
  7833 Gold(III) difluoride thiol (Geo)HF2SAu
  7834 Gold(III) difluoride thiolHF2SAu


ΔHf: 141.1 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 SHIFT=20 PULAY PM7
Gold tetracarbonyl, cation
 H=141.1 HR=PW91D
 Au     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.38413279 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.38418251 +1  179.0274002 +1  180.0000000 +0     1     2     0
  C     2.38230955 +1   90.7916360 +1  176.8724645 +1     1     2     3
  C     2.38599861 +1   89.2240834 +1  179.9138222 +1     1     2     4
  O     1.13435048 +1  179.0940122 +1 -178.2907675 +1     3     2     4
  O     1.13448350 +1  135.6833232 +1  179.8868997 +1     4     2     1
  O     1.13445099 +1  134.2673322 +1  179.8251031 +1     5     2     1
  O     1.13444751 +1  179.1992029 +1  175.9815622 +1     2     3     4