Accuracy

titanium tetrapropoxide   2907 Titanium tetrapropoxide

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    #  Species Formula
  2897 Ti(II)(NH3)6 (Geo)H18N6Ti
  2898 Ti(III)(CN)6 2T2gC6N6Ti
  2899 Titanium monoxideOTi
  2900 Titanium dioxideO2Ti
  2901 Ti(Cp)2(OC6H5)2C22H20O2Ti
  2902 Ti(Cp)2(2-MeC6H4O)2C24H24O2Ti
  2903 Ti(Cp)2(3-MeC6H4O)2C24H24O2Ti
  2904 Ti(Cp)2(4-MeC6H4O)2C24H24O2Ti
  2905 Ti(Cp)2(4-MeOC6H4)2C24H24O2Ti
  2906 Titanium tetraisopropoxideC12H28O4Ti
  2907 Titanium tetrapropoxide C12H28O4Ti
  2908 Ti(O-s-C4H9)4C16H36O4Ti
  2909 Ti(O-t-butyl)4C16H36O4Ti
  2910 Titanium tetra-n-butoxideC16H36O4Ti
  2911 Ti(O-n-C5H11)4C20H44O4Ti
  2912 Ti(O-neo-C5H11)4C20H44O4Ti
  2913 Ti(Cp)2(O(CO)C6H5)2C24H20O4Ti
  2914 d1 [Ti(III)(H2O)6]3+ 2TgH12O6Ti
  2915 Ti(II)(H2O)6H12O6Ti
  2916 Ti(II)(H2O)6 (Geo)H12O6Ti
  2917 TiFFTi


ΔHf: -355.7 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
Titanium tetrapropoxide
 H=-355.74 HR=NIST
 Ti     0.00000000 +0   0.00000000 +0   0.00000000 +0
  O     1.78461754 +1   0.00000000 +0   0.00000000 +0
  C     3.15356278 +1  -0.01375405 +1   0.00000000 +0
  C     3.67490096 +1   1.32809235 +1   0.54916601 +1
  C     5.20009789 +1   1.34119787 +1   0.55206203 +1
  O    -0.60204497 +1  -1.12853463 +1   1.24732269 +1
  C    -1.05812733 +1  -1.99063498 +1   2.20829041 +1
  C     0.02957881 +1  -2.17941996 +1   3.28374010 +1
  C    -0.45354538 +1  -3.14145199 +1   4.36434279 +1
  O    -0.59429725 +1   1.64616545 +1   0.35712511 +1
  C    -1.05958789 +1   2.90688181 +1   0.62066279 +1
  C    -2.42410879 +1   3.10061562 +1  -0.06948202 +1
  C    -2.96492645 +1   4.50099991 +1   0.20190511 +1
  O    -0.59961476 +1  -0.51705734 +1  -1.60044584 +1
  C    -1.05760241 +1  -0.92905068 +1  -2.82310037 +1
  C    -1.24400709 +1  -2.45896646 +1  -2.80766768 +1
  C    -1.74727558 +1  -2.94523867 +1  -4.16308752 +1
  H     3.48786521 +1  -0.18094571 +1  -1.04533387 +1
  H     3.48295702 +1  -0.86531669 +1   0.63219607 +1
  H     3.27657576 +1   1.49164221 +1   1.56822938 +1
  H     3.27468563 +1   2.15864920 +1  -0.06252600 +1
  H     5.58575679 +1   2.28875181 +1   0.94515625 +1
  H     5.60690089 +1   1.21744973 +1  -0.45807432 +1
  H     5.61054528 +1   0.53894744 +1   1.17575328 +1
  H    -1.30306964 +1  -2.95147630 +1   1.70920515 +1
  H    -1.98222433 +1  -1.55301667 +1   2.64100266 +1
  H     0.29482359 +1  -1.19733950 +1   3.71957081 +1
  H     0.95737859 +1  -2.55323269 +1   2.81066335 +1
  H     0.30867739 +1  -3.28091482 +1   5.13935512 +1
  H    -0.68136076 +1  -4.13075731 +1   3.95140836 +1
  H    -1.35811777 +1  -2.77195360 +1   4.86040861 +1
  H    -0.30785444 +1   3.62956918 +1   0.23989180 +1
  H    -1.14471986 +1   3.01102107 +1   1.72272223 +1
  H    -3.13278421 +1   2.32962570 +1   0.28758889 +1
  H    -2.31753912 +1   2.92428276 +1  -1.15679190 +1
  H    -3.93693924 +1   4.64938412 +1  -0.28278511 +1
  H    -2.28912961 +1   5.27551902 +1  -0.17803467 +1
  H    -3.10611403 +1   4.67909754 +1   1.27399272 +1
  H    -0.31044107 +1  -0.62049812 +1  -3.58427083 +1
  H    -2.01795030 +1  -0.40637108 +1  -3.01653976 +1
  H    -1.94981322 +1  -2.73828811 +1  -2.00239473 +1
  H    -0.28612181 +1  -2.94689321 +1  -2.54490659 +1
  H    -1.87972659 +1  -4.03303599 +1  -4.16834049 +1
  H    -1.04449983 +1  -2.69850568 +1  -4.96713461 +1
  H    -2.71464508 +1  -2.49814804 +1  -4.41844606 +1