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

Ti(IV)F6(2-)   2935 Ti(IV)F6(2-)

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    #  Species Formula
  2925 Titanium(IV) oxide difluorideOF2Ti
  2926 Ti(III)F2(H2O)4 (+) (SIXXAY) (Geo)H8O4F2Ti
  2927 Ti(III)F2(H2O)4(+) (SIXXAY)H8O4F2Ti
  2928 Titanium trifluorideF3Ti
  2929 TiF4 (Geo)F4Ti
  2930 Titanium tetrafluorideF4Ti
  2931 Titanium tetrafluoride anionF4Ti
  2932 Titanium(III) tetrafluoride 2EF4Ti
  2933 Titanium pentafluoride anionF5Ti
  2934 Ti(IV)F6(2-) (KOYXOL) (Geo)F6Ti
  2935 Ti(IV)F6(2-) F6Ti
  2936 Titanium(IV) hexafluoride (Geo)F6Ti
  2937 d1 [Ti(III)F6]3- 2T2gF6Ti
  2938 d2 [Ti(II)F6]4- 3T1gF6Ti
  2939 Ti(Cp)2(4-CF3C6H4)2C24H18F6Ti
  2940 Bicyclopentadienyl titanium di(trifluoroacetate)C14H10O4F6Ti
  2941 ((Me)3SiCH2)4TiC16H44Si4Ti
  2942 Ti(IV)N4 (VIRLAJ) (Geo)C16H44N4Si4Ti
  2943 Bicyclopentadienyl dithioethyl titaniumC14H20S2Ti
  2944 Bicyclopentadienyl dithiopropyl titaniumC16H24S2Ti
  2945 Ti(Cp)2(SC6H5)2C22H20S2Ti


ΔHf: -540.5 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=-2 SYMMETRY PM7
Ti(IV)F6(2-)
 H=-540.5 HR=PW91D
  F     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Ti     1.83486086 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.83486086 +1   90.0000000 +1    0.0000000 +0     2     1     0
  F     1.83486086 +1   90.0000000 +1  180.0000000 +1     2     3     1
  F     1.83486086 +1   90.0000000 +1  180.0000000 +1     2     4     3
  F     1.83486086 +1   90.0000000 +1   90.0000000 +1     2     3     4
  F     1.83486086 +1   90.0000000 +1  -90.0000000 +1     2     3     4