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

gold(i)(nh3)4r   7813 Gold(I)(NH3)4 (Geo)

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    #  Species Formula
  7803 Dimethyl gold(III) amine (Geo)C2H8NAu
  7804 Dimethyl gold(III) amineC2H8NAu
  7805 Gold(I) di-cyanide, anion (Geo)C2N2Au
  7806 Au(I)(CN)2(-) (JEYXAM) (Geo)C2N2Au
  7807 Gold(I) di-cyanide, anionC2N2Au
  7808 Au(I)C2 (CYMIAU) (Geo)C3H3N2Au
  7809 Triamino gold(III) (Geo)H6N3Au
  7810 Triamino gold(III)H6N3Au
  7811 Gold(III)(NH3)4 (Geo)H12N4Au
  7812 Gold(I)(NH3)4H12N4Au
  7813 Gold(I)(NH3)4 (Geo) H12N4Au
  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


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 PULAY SHIFT=80 PM7
Gold(I)(NH3)4
 <Au-N> GR=PW91D
 Au     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.50467300 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     4.64259342 +1   43.1591374 +1    0.0000000 +0     1     2     0
  N     2.29245678 +1  116.0114802 +1 -178.7706897 +1     1     2     3
  N     2.30802235 +1  159.7494884 +1  179.3811546 +1     1     4     2
  H     1.00531176 +1  104.7663681 +1   -0.1718109 +1     2     1     3
  H     0.99922115 +1  108.2257730 +1  119.4872694 +1     2     1     6
  H     1.00189535 +1  106.3279679 +1 -119.9525152 +1     5     1     3
  H     1.00955039 +1  104.6171585 +1  119.7706324 +1     5     1     8
  H     1.00479817 +1  113.6827635 +1    5.1387596 +1     3     1     2
  H     1.00491094 +1  109.7618472 +1 -120.8326144 +1     3     1    10
  H     1.00400570 +1  106.4808258 +1  173.7762451 +1     4     1     2
  H     1.00408046 +1  105.8277502 +1 -120.0146215 +1     4     1    12
  H     1.00014340 +1  107.8126491 +1  121.1682505 +1     2     1     7
  H     1.00467806 +1  109.3745189 +1 -118.6453067 +1     3     1    11
  H     1.00405441 +1  106.0715468 +1 -119.8473163 +1     4     1    13
  H     1.00189124 +1  106.2230261 +1  119.7846004 +1     5     1     9