Accuracy

Ti(IV)Cl6(2-)   2993 Ti(IV)Cl6(2-)

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    #  Species Formula
  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
  2995 Bicyclopentadienyl titanium di(trichloroacetate)C14H10O4Cl6Ti
  2996 Ti(II)(C6H6)Cl4 (BELYIA01) (Geo)C6H6Al2Cl8Ti
  2997 Titanium, dimer (Geo)Ti2
  2998 Ti(IV)2OCl4Cp2 (CYTIDC) (Geo)C10H10OCl4Ti2
  2999 Cl2(C2H5O)Ti-(C2H5O)2-TiCl2(C2H5O) (Geo)C8H20O4Cl4Ti2
  3000 Ti(IV)2O6Cl6 (YARSOZ) r (Geo)C10H20O6Cl6Ti2
  3001 Ti(III)2Cl6(PMe3)3 (LETMIG) (Geo)C12H36P4Cl6Ti2
  3002 Ti(IV)2Cl9(MeCN)2 (MALYAZ) r (Geo)C4H6N2Cl8Ti2
  3003 Ti(IV)2Cl9(MeCN)2C4H6N2Cl8Ti2


ΔHf: -300.7 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=-2 PM7
Ti(IV)Cl6(2-)
 H=-300.7 HR=PW91D
 Ti     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.34514302 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.34519335 +1   89.9690651 +1    0.0000000 +0     1     2     0
 Cl     2.34510256 +1   90.0452394 +1   89.9452389 +1     1     2     3
 Cl     2.34515848 +1   89.9964135 +1  179.9440913 +1     1     4     2
 Cl     2.34516438 +1   89.9782754 +1  -89.9385830 +1     1     2     3
 Cl     2.34514202 +1   90.0025719 +1  -89.9396180 +1     1     2     6