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

Ti(III)F2(H2O)4(plus)   2927 Ti(III)F2(H2O)4(+) (SIXXAY)

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    #  Species Formula
  2917 Ti(II)(H2O)6 (Geo)H12O6Ti
  2918 TiFFTi
  2919 Titanium(I) fluoride (Geo)FTi
  2920 Titanium(I) fluorideFTi
  2921 TiFOOFTi
  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 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


ΔHf: -295.2 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.
  
 UHF CHARGE=1 PM7
Ti(III)F2(H2O)4(+) (SIXXAY)
 H=-295.2 HR=PW91D
 Ti     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.73479257 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.73410657 +1  179.5969538 +1  180.0000000 +0     1     2     0
  O     2.21687360 +1   82.1695451 +1 -104.4544087 +1     1     2     3
  O     2.21414188 +1   82.0883902 +1 -179.8216086 +1     1     2     4
  O     2.21322734 +1   97.1623696 +1  -66.1281224 +1     1     2     5
  O     2.20576654 +1   97.9675175 +1  179.9572151 +1     1     2     6
  H     0.97730117 +1  121.6578784 +1   43.1455428 +1     4     1     2
  H     0.97165596 +1  126.0586473 +1  146.9773100 +1     4     1     8
  H     0.97178993 +1  126.3369174 +1 -164.4942724 +1     5     1     2
  H     0.97666320 +1  121.9581465 +1 -149.0812150 +1     5     1    10
  H     0.97205889 +1  126.3900232 +1   13.7866654 +1     6     1     2
  H     0.97752235 +1  121.4835097 +1 -147.3857055 +1     6     1    12
  H     0.97088881 +1  127.6256243 +1   20.7447757 +1     7     1     2
  H     0.97732787 +1  121.2055816 +1 -150.4058210 +1     7     1    14