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

Au(I)S2(plus) (AFAWUZ)   7839 Au(I)S2(+) (AFAWUZ)

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    #  Species Formula
  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
  7835 Gold(III) difluoride thiolHF2SAu
  7836 Au(Me2S)2C4H12S2Au
  7837 Au(Me2S)2 (Geo)C4H12S2Au
  7838 Au(I)S2(+) (AFAWUZ) (Geo)C2H8N4S2Au
  7839 Au(I)S2(+) (AFAWUZ) C2H8N4S2Au
  7840 Au(IV)S4 (JEKGAH) (Geo)C12H8S4Au
  7841 Au(IV)S4 (JEKGAH)C12H8S4Au
  7842 Gold(I) chloride (Geo)ClAu
  7843 Gold(I) chlorideClAu
  7844 Au(III)N3Cl(2+) (AEMAUP) (Geo)C4H13N3ClAu
  7845 Au(I)SCl (GOJLAS) (Geo)C2H6SClAu
  7846 Au(I)Cl2(-) (GANJOU) (Geo)Cl2Au
  7847 Gold(I) dichloride, anionCl2Au
  7848 Methyl gold(III) dichloride (Geo)CH3Cl2Au
  7849 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