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

aluminum trifluoride, dimer   1862 Aluminum trifluoride, dimer

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    #  Species Formula
  1852 LiAlF4 (Geo)LiF4Al
  1853 Lithium tetrafluoroaluminateLiF4Al
  1854 Al(III)F6(3-) (YAXXAW) (Geo)F6Al
  1855 Al(III)F6(3-) (YAXXAW)F6Al
  1856 Sodium tetrafluoroaluminateF4NaAl
  1857 Dialuminum oxide, cationOAl2
  1858 Al2O (Geo)OAl2
  1859 Dialuminum oxideOAl2
  1860 Al2O2, cationO2Al2
  1861 Aluminum oxide, dimerO2Al2
  1862 Aluminum trifluoride, dimer F6Al2
  1863 Silicon, cationSi
  1864 Silicon, 1D(g) 3s(2)3p(2)Si
  1865 Silicon, 1S(g) 3s(2)3p(2)Si
  1866 Silicon, 3D(u) 3s(1)3p(3)Si
  1867 Silicon, 5S(u) 3s(1)3p(3)Si
  1868 Silicon, atomSi
  1869 SiHHSi
  1870 SiH (Geo)HSi
  1871 Silylene (singlet) (Geo)H2Si
  1872 Silylene (singlet)H2Si


ΔHf: -629.5 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
  
 SYMMETRY PM7
Aluminum trifluoride, dimer
 H=-629.45 HR=JANAF86
 XX     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Al     1.45083610 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Al     1.45083610 +0  180.0000000 +0    0.0000000 +0     1     2     0
  F     1.08517063 +1   90.0000000 +0    0.0000000 +0     1     2     3
  F     1.08517063 +0   90.0000000 +0  180.0000000 +0     1     2     3
  F     1.59485719 +1  119.2902331 +1   90.0000000 +0     2     1     4
  F     1.59485719 +0  119.2902331 +0  -90.0000000 +0     2     1     4
  F     1.59485719 +0  119.2902331 +0   90.0000000 +0     3     1     4
  F     1.59485719 +0  119.2902331 +0  -90.0000000 +0     3     1     4