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

titanium dioxide   2901 Titanium dioxide

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    #  Species Formula
  2891 Ti(IV)C13 (KORFIG) (Geo)C24H38Ti
  2892 Tetrabenzyl titaniumC28H28Ti
  2893 Ti(CH2C6H5)4C28H28Ti
  2894 Ti(NH2)4 (Geo)H8N4Ti
  2895 Ti(NHMe)4 (Geo)C4H16N4Ti
  2896 Titanium tetra(diethylamine)C16H40N4Ti
  2897 Ti(II)(NH3)6H18N6Ti
  2898 Ti(II)(NH3)6 (Geo)H18N6Ti
  2899 Ti(III)(CN)6 2T2gC6N6Ti
  2900 Titanium monoxideOTi
  2901 Titanium dioxide O2Ti
  2902 Ti(Cp)2(OC6H5)2C22H20O2Ti
  2903 Ti(Cp)2(2-MeC6H4O)2C24H24O2Ti
  2904 Ti(Cp)2(3-MeC6H4O)2C24H24O2Ti
  2905 Ti(Cp)2(4-MeC6H4O)2C24H24O2Ti
  2906 Ti(Cp)2(4-MeOC6H4)2C24H24O2Ti
  2907 Titanium tetraisopropoxideC12H28O4Ti
  2908 Titanium tetrapropoxideC12H28O4Ti
  2909 Ti(O-s-C4H9)4C16H36O4Ti
  2910 Ti(O-t-butyl)4C16H36O4Ti
  2911 Titanium tetra-n-butoxideC16H36O4Ti


ΔHf: -73.0 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.
  
 SYMMETRY PM7
Titanium dioxide
 H=-73.0 HR=NIST
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Ti     1.66661642 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.66661642 +0  112.5720570 +1    0.0000000 +0     2     1     0