Accuracy

Ti(IV)Cl4Cp(-) (ICESEO)   2984 Ti(IV)Cl4Cp(-)

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    #  Species Formula
  2974 Ti(III)N3Cl3 (+)C15H19N3Cl3Ti
  2975 Ti(III)N3Cl3 (CPMATI) (Geo)C15H19N3Cl3Ti
  2976 Ti(III)Cl3O3 (TCXNTI) (Geo)C6H14O3Cl3Ti
  2977 Ti(III)Cl3O3C6H14O3Cl3Ti
  2978 Ti(IV)Cl3PCp (LEFCUU) (Geo)C8H14PCl3Ti
  2979 Ti(IV)CHClP (BIXFUJ10) (Geo)C8H21P2Cl3Ti
  2980 Titanium tetrachloride (Geo)Cl4Ti
  2981 Titanium tetrachlorideCl4Ti
  2982 Titanium(III) tetrachloride 2ECl4Ti
  2983 Ti(IV)Cl4Cp(-) (ICESEO) (Geo)C5H5Cl4Ti
  2984 Ti(IV)Cl4Cp(-) C5H5Cl4Ti
  2985 TiCl4(NH3) (Geo)H3NCl4Ti
  2986 TiCl4(NH3)2 trans (Geo)H6N2Cl4Ti
  2987 Ti(IV)Cl4N2 (DIFWAQ) (Geo)C4H6N2Cl4Ti
  2988 Ti(IV)Cl4N2 (GAMGAC) (Geo)C10H10N2Cl4Ti
  2989 Ti(IV)Cl4O2 (BOMFAK) (Geo)C4H10O2Cl4Ti
  2990 Ti(IV)Cl4O2C4H10O2Cl4Ti
  2991 Ti(IV)Cl4S(=) (GERHAM) (Geo)SCl4Ti
  2992 Ti(IV)Cl6(2-) (BARMAJ) (Geo)Cl6Ti
  2993 Ti(IV)Cl6(2-)Cl6Ti
  2994 Ti(III)Cl6 2T2gCl6Ti


ΔHf: -225.8 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.
  
 CHARGE=-1 PM7
Ti(IV)Cl4Cp(-)
 H=-225.8 HR=PW91D
 Ti     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.33735842 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.32559978 +1   83.3035397 +1    0.0000000 +0     1     2     0
 Cl     2.33807805 +1  141.2157768 +1  -70.5450072 +1     1     2     3
 Cl     2.32824232 +1   83.1460411 +1  -70.0624198 +1     1     2     4
  C     2.40264603 +1  137.8771964 +1 -123.2086525 +1     1     2     5
  C     1.43252075 +1   72.3021173 +1   84.9241403 +1     6     1     2
  C     1.43355013 +1  107.9901727 +1  -64.4614431 +1     7     6     1
  C     1.43264131 +1  107.9695241 +1    0.0385857 +1     8     7     6
  C     1.43272211 +1  108.0071650 +1    0.1580990 +1     9     8     7
  H     1.07967732 +1  128.2753032 +1  121.7203374 +1     6     1     7
  H     1.07957910 +1  125.6692227 +1 -171.0310510 +1     7     6     8
  H     1.07968825 +1  125.6643115 +1 -170.8907716 +1     8     7     9
  H     1.07975086 +1  125.6454116 +1 -170.6398433 +1     9     8    10
  H     1.07960663 +1  125.5821124 +1 -170.6751785 +1    10     9     8