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

methyl titanium(iv) trichlorider   2971 Methyl titanium(IV) trichloride (Geo)

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    #  Species Formula
  2961 Ti(IV)Cp2Cl2 (CDCPTI) (Geo)C10H10Cl2Ti
  2962 Ti(IV)Cp2Cl2C10H10Cl2Ti
  2963 Ti(IV)Cl2Cp2 (BOZPIP) (Geo)C14H18Cl2Ti
  2964 TiCl2(NH2)2 (Geo)H4N2Cl2Ti
  2965 Titanium(IV) oxide dichloride (Geo)OCl2Ti
  2966 Titanium(IV) oxide dichlorideOCl2Ti
  2967 Ti(Cp)2(2-ClC6H4O)2C22H18O2Cl2Ti
  2968 Ti(IV)Cl2O2N2 (CESALT) (Geo)C16H14N2O2Cl2Ti
  2969 Ti(IV)Cl2O2N2C16H14N2O2Cl2Ti
  2970 Titanium trichlorideCl3Ti
  2971 Methyl titanium(IV) trichloride (Geo) CH3Cl3Ti
  2972 TiCpCl3 (CEHPIO) (Geo)C5H5Cl3Ti
  2973 TiCpCl3C5H5Cl3Ti
  2974 TiCl3NH2 (Geo)H2NCl3Ti
  2975 Ti(III)N3Cl3 (+)C15H19N3Cl3Ti
  2976 Ti(III)N3Cl3 (CPMATI) (Geo)C15H19N3Cl3Ti
  2977 Ti(III)Cl3O3 (TCXNTI) (Geo)C6H14O3Cl3Ti
  2978 Ti(III)Cl3O3C6H14O3Cl3Ti
  2979 Ti(IV)Cl3PCp (LEFCUU) (Geo)C8H14PCl3Ti
  2980 Ti(IV)CHClP (BIXFUJ10) (Geo)C8H21P2Cl3Ti
  2981 Titanium tetrachloride (Geo)Cl4Ti


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.
  
 PM7
Methyl titanium(IV) trichloride
 <Ti-C> <Ti-Cl> GR=PW91D
 Ti     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.04070500 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.20515700 +1   99.9310015 +1    0.0000000 +0     1     2     0
 Cl     2.17082148 +1  100.1535031 +1  119.7413491 +1     1     2     3
 Cl     2.17098177 +1  100.1631537 +1  120.7187462 +1     1     2     4
  H     1.10872878 +1  111.6849463 +1   59.7731439 +1     2     1     3
  H     1.10852592 +1  111.9866039 +1  120.0811742 +1     2     1     6
  H     1.10873035 +1  111.6526336 +1  120.0625366 +1     2     1     7