Accuracy

titanium tetrachloride   2981 Titanium tetrachloride

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    #  Species Formula
  2971 TiCpCl3 (CEHPIO) (Geo)C5H5Cl3Ti
  2972 TiCpCl3C5H5Cl3Ti
  2973 TiCl3NH2 (Geo)H2NCl3Ti
  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 tetrachloride Cl4Ti
  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


ΔHf: -182.4 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.
I.P.: 11.7 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 SHIFT=20 SYMMETRY PM7
Titanium tetrachloride
 I=11.7 IR=LLNBS82 H=-182.4 HR=NIST S=84.42 CP=22.8
 
 Cl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Ti     2.18033995 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.18033995 +1  109.4712210 +1    0.0000000 +0     2     1     0
 Cl     2.18033995 +1  109.4712210 +1  120.0000000 +1     2     1     3
 Cl     2.18033995 +1  109.4712210 +1 -120.0000000 +1     2     1     3
 
   2  1    3    4    5