Accuracy

gold(i)(h2o)4   7821 Gold(I)(H2O)4

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    #  Species Formula
  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
  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)4 H8O4Au
  7822 Gold(I)(H2O)4 (Geo)H8O4Au
  7823 Gold tetracarbonyl, cation (Geo)C4O4Au
  7824 Gold tetracarbonyl, cationC4O4Au
  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


ΔHf: -4.1 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 UHF PM7
Gold(I)(H2O)4
 H=-4.1 HR=PW91D
 Au     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.31168634 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     3.20784867 +1  130.9544535 +1    0.0000000 +0     1     2     0
  O     2.27367130 +1  172.6466809 +1 -126.1291000 +1     1     2     3
  O     2.67632459 +1  156.9801833 +1  163.6778452 +1     3     1     2
  H     1.00579849 +1   87.4454312 +1  157.1227469 +1     2     1     3
  H     1.00467924 +1   87.7322682 +1 -101.9527600 +1     2     1     6
  H     0.96036437 +1  125.1835194 +1  -35.6289015 +1     5     3     4
  H     0.96151965 +1  119.1346403 +1 -141.1356841 +1     5     3     8
  H     0.96450799 +1   99.3632388 +1  -37.3410637 +1     3     1     6
  H     0.99477443 +1  153.6622910 +1 -148.9818902 +1     3     1    10
  H     1.00287081 +1   87.4394135 +1   94.9564708 +1     4     1    11
  H     1.05062720 +1   86.7644296 +1 -101.7193370 +1     4     1    12