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

au(co)4r   7824 Gold tetracarbonyl, cation (Geo)

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    #  Species Formula
  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
  7822 Gold(I)(H2O)4H8O4Au
  7823 Gold(I)(H2O)4 (Geo)H8O4Au
  7824 Gold tetracarbonyl, cation (Geo) C4O4Au
  7825 Gold tetracarbonyl, cationC4O4Au
  7826 Gold(I) fluoride (Geo)FAu
  7827 Gold(I) fluorideFAu
  7828 Methyl gold(III) difluoride (Geo)CH3F2Au
  7829 Methyl gold(III) difluorideCH3F2Au
  7830 Gold(III) trifluoride (Geo)F3Au
  7831 Gold(III) trifluorideF3Au
  7832 Gold(III) tetrafluoride, anion (Geo)F4Au
  7833 Gold(III) tetrafluoride, anionF4Au
  7834 Gold(III) difluoride thiol (Geo)HF2SAu


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 tetracarbonyl, cation
 <Au-C> GR=PW91D
 Au     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.27654600 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.42810412 +1   91.9622036 +1    0.0000000 +0     1     2     0
  C     2.42581334 +1   92.4711841 +1  178.2921376 +1     1     2     3
  C     2.35795836 +1  178.4490425 +1  101.0222356 +1     1     2     4
  O     1.13444393 +1  133.2549668 +1  179.8113326 +1     3     2     1
  O     1.13442819 +1  134.1829625 +1 -179.9524524 +1     4     2     1
  O     1.13455414 +1  179.5682927 +1 -147.4425871 +1     5     2     3
  O     1.13490318 +1  134.3090554 +1 -179.9351395 +1     2     3     1