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

tifo   2921 TiFO

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    #  Species Formula
  2911 Titanium tetra-n-butoxideC16H36O4Ti
  2912 Ti(O-n-C5H11)4C20H44O4Ti
  2913 Ti(O-neo-C5H11)4C20H44O4Ti
  2914 Ti(Cp)2(O(CO)C6H5)2C24H20O4Ti
  2915 d1 [Ti(III)(H2O)6]3+ 2TgH12O6Ti
  2916 Ti(II)(H2O)6H12O6Ti
  2917 Ti(II)(H2O)6 (Geo)H12O6Ti
  2918 TiFFTi
  2919 Titanium(I) fluoride (Geo)FTi
  2920 Titanium(I) fluorideFTi
  2921 TiFO OFTi
  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


ΔHf: -103.5 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
TiFO
 H=-103.5 HR=NIST
  F     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Ti     1.73731310 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.66416564 +1  106.7428611 +1  180.0000000 +0     2     1     0