Accuracy

al(iii)f6(3-) (yaxxaw)   1853 Al(III)F6(3-) (YAXXAW)

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    #  Species Formula
  1843 Aluminum difluorideF2Al
  1844 Aluminum difluoride, anionF2Al
  1845 Aluminum difluoride oxide, anionOF2Al
  1846 Aluminum trifluoride (Geo)F3Al
  1847 Aluminum trifluorideF3Al
  1848 Aluminum tetrafluoride, anion (Geo)F4Al
  1849 Aluminum tetrafluoride, anionF4Al
  1850 LiAlF4 (Geo)LiF4Al
  1851 Lithium tetrafluoroaluminateLiF4Al
  1852 Al(III)F6(3-) (YAXXAW) (Geo)F6Al
  1853 Al(III)F6(3-) (YAXXAW) F6Al
  1854 Sodium tetrafluoroaluminateF4NaAl
  1855 Dialuminum oxide, cationOAl2
  1856 Al2O (Geo)OAl2
  1857 Dialuminum oxideOAl2
  1858 Al2O2, cationO2Al2
  1859 Aluminum oxide, dimerO2Al2
  1860 Aluminum trifluoride, dimerF6Al2
  1861 Silicon, cationSi
  1862 Silicon, 1D(g) 3s(2)3p(2)Si
  1863 Silicon, 1S(g) 3s(2)3p(2)Si


ΔHf: -333.5 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=-3 PM7
Al(III)F6(3-) (YAXXAW)
 H=-333.5 HR=PW91D
 Al     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.82566680 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.82559433 +1   90.1093062 +1    0.0000000 +0     1     2     0
  F     1.82574765 +1   90.0511430 +1  -89.9040481 +1     1     2     3
  F     1.82575521 +1   89.5250288 +1  -90.1760493 +1     1     2     4
  F     1.82566339 +1   90.1658348 +1 -179.8225673 +1     1     5     2
  F     1.82561310 +1   90.3099698 +1  -90.0283164 +1     1     2     5