Accuracy

Au(I)S2(plus) (AFAWUZ)   7838 Au(I)S2(+) (AFAWUZ)

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    #  Species Formula
  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
  7835 Au(Me2S)2C4H12S2Au
  7836 Au(Me2S)2 (Geo)C4H12S2Au
  7837 Au(I)S2(+) (AFAWUZ) (Geo)C2H8N4S2Au
  7838 Au(I)S2(+) (AFAWUZ) C2H8N4S2Au
  7839 Au(IV)S4 (JEKGAH) (Geo)C12H8S4Au
  7840 Au(IV)S4 (JEKGAH)C12H8S4Au
  7841 Gold(I) chloride (Geo)ClAu
  7842 Gold(I) chlorideClAu
  7843 Au(III)N3Cl(2+) (AEMAUP) (Geo)C4H13N3ClAu
  7844 Au(I)SCl (GOJLAS) (Geo)C2H6SClAu
  7845 Au(I)Cl2(-) (GANJOU) (Geo)Cl2Au
  7846 Gold(I) dichloride, anionCl2Au
  7847 Methyl gold(III) dichloride (Geo)CH3Cl2Au
  7848 Au(III)Cl2N2(+) (BATTOF) (Geo)C11H10N2O2Cl2Au


ΔHf: 172.3 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 PM7
Au(I)S2(+) (AFAWUZ)
 H=172.3 HR=PW91D
 Au     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.36813250 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.75063325 +1   84.3053379 +1    0.0000000 +0     2     1     0
  H     1.01021297 +1  155.5314473 +1 -176.0920982 +1     3     2     1
  H     1.01128995 +1   89.2555233 +1  178.2753282 +1     3     2     4
  N     2.33216717 +1   62.8683133 +1  179.4697672 +1     3     2     5
  H     1.00612555 +1   92.3771216 +1 -179.2698896 +1     6     3     2
  H     1.01432369 +1  151.3281666 +1 -179.5307123 +1     6     3     7
  C     1.35234346 +1   30.7721896 +1   -1.1431544 +1     6     3     8
  S     2.35905493 +1  128.5700690 +1 -178.7839586 +1     1     3     2
  C     1.77696651 +1  101.4628593 +1 -157.1091539 +1    10     1     5
  N     1.35322107 +1  120.8922386 +1  -83.0977623 +1    11    10     1
  H     1.00891791 +1  123.3361036 +1 -173.2587507 +1    12    11    10
  H     1.01299972 +1  120.7935270 +1  173.4661291 +1    12    11    13
  N     1.35233326 +1  119.8675864 +1 -176.4397460 +1    11    10    12
  H     1.00818308 +1  123.3971599 +1  174.3855673 +1    15    11    10
  H     1.01340833 +1  120.6851382 +1 -174.8617681 +1    15    11    16