Accuracy

tih4   2879 TiH4

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    #  Species Formula
  2869 Sc(III)2Cp4C2 (SIZNIY_a)C22H20Sc2
  2870 Sc(III)2Cp4C2 (SIZNIY) (Geo)C42H60Sc2
  2871 Sc(III)2O14 (TUVYEO) (Geo)H10N4O18Sc2
  2872 Sc2F4F4Sc2
  2873 Sc2F4 (Geo)F4Sc2
  2874 Sc(III)2Cp4Cl2 (DCCPSC) (Geo)C20H20Cl2Sc2
  2875 Sc(III)3Cp6F3 (DOFGAG) (Geo)C30H30F3Sc3
  2876 Sc(III)3Cp6F3 (DOFGAG)C30H30F3Sc3
  2877 Titanium, cationTi
  2878 Titanium, atomTi
  2879 TiH4 H4Ti
  2880 TiH4 (Geo)H4Ti
  2881 Ti(C5H5)2 D5dC10H10Ti
  2882 Bicyclopentadienyl dimethyl titaniumC12H16Ti
  2883 Ti(IV)C14 (LIKRAY) (Geo)C20H16Ti
  2884 Ti(IV)C14C20H16Ti
  2885 Titanium (neo-C5H11)4C20H44Ti
  2886 Bicyclopentadienyl biphenyl titaniumC22H20Ti
  2887 Ti(Cp)2(CH2C6H5)2C24H24Ti
  2888 Ti(Cp)2(m-Tol)2C24H24Ti
  2889 Ti(Cp)2(p-Tol)2C24H24Ti


ΔHf: 83.7 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.
  
 SYMMETRY PM7
TiH4
 H=83.7 HR=PW91D
 
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Ti     1.75563193 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.75563193 +1  109.4712210 +1    0.0000000 +0     2     1     0
  H     1.75563193 +1  109.4712210 +1 -120.0000000 +1     2     1     3
  H     1.75563193 +1  109.4712210 +1  120.0000000 +1     2     1     3
 
   2  1    3    4    5