Accuracy

ga(iii)f6(3-) (buyfoq01)   3817 Ga(III)F6(3-) (BUYFOQ01)

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    #  Species Formula
  3807 Ga(III)O6(3-) (COKFIR)C6O12Ga
  3808 Gallium fluoride (Geo)FGa
  3809 Gallium fluorideFGa
  3810 Ga(III)C2F2(-) (CUPQUZ) (Geo)C2H6F2Ga
  3811 Ga(III)C2F2(-) (CUPQUZ)C2H6F2Ga
  3812 [Ga(III)F2.(Me2N)](+)C2H6NF2Ga
  3813 [Ga(III)F2.(Me2N)](+) (Geo)C2H6NF2Ga
  3814 Gallium trifluoride (Geo)F3Ga
  3815 Gallium trifluorideF3Ga
  3816 Ga(III)F6(3-) (BUYFOQ01) (Geo)F6Ga
  3817 Ga(III)F6(3-) (BUYFOQ01) F6Ga
  3818 Ga(CH3O)2(CH3S)C3H9O2SGa
  3819 Ga(CH3O)2(CH3S) (Geo)C3H9O2SGa
  3820 [Ga(III)F2](+).H2SH2F2SGa
  3821 [Ga(III)F2](+).H2S (Geo)H2F2SGa
  3822 Ga(III)S6 (EDTCGA01) (Geo)C15H30N3S6Ga
  3823 Ga(III)S6 (EDTCGA01)C15H30N3S6Ga
  3824 Gallium chloride (Geo)ClGa
  3825 Gallium chlorideClGa
  3826 Chlorotrimethyl gallium, anion (Geo)C3H9ClGa
  3827 Dichlorodimethyl gallium, anion (Geo)C2H6Cl2Ga


ΔHf: -258.4 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
Ga(III)F6(3-) (BUYFOQ01)
 H=-258.4 HR=PW91D
 Ga     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.86764060 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.86764177 +1  179.9000000 +0    0.0000000 +0     1     2     0
  F     1.86767028 +1   90.0159510 +1   73.4448715 +1     1     2     3
  F     1.86760820 +1   89.9866576 +1  179.9114302 +1     1     2     4
  F     1.86759192 +1   90.0735533 +1  -90.0114900 +1     1     2     5
  F     1.86769190 +1   89.9240512 +1  179.9628186 +1     1     2     6