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

titanium(iii) tetrafluoride 2e   2932 Titanium(III) tetrafluoride 2E

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    #  Species Formula
  2922 Titanium difluorideF2Ti
  2923 TiOF2OF2Ti
  2924 Titanium(IV) oxide difluoride (Geo)OF2Ti
  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 2E F4Ti
  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


For electronic state 1,2,E
ΔHf: 0.0 kcal/mol,     REF: Presumed ground state.
  
 SHIFT=80 SYMMETRY CHARGE=-1 OPEN(1,9) MECI ALLVECS PM7
Titanium(III) tetrafluoride 2E
 ROOT=1,2,E H=0 HR=GS
  F     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Ti     1.81017165 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.81017165 +1  109.4712210 +1    0.0000000 +1     2     1     0
  F     1.81017165 +1  109.4712210 +1  120.0000000 +1     2     1     3
  F     1.81017165 +1  109.4712210 +1 -120.0000000 +1     2     1     3