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

Ti(Cp)2(SC6H5)2   2945 Ti(Cp)2(SC6H5)2

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    #  Species Formula
  2935 Ti(IV)F6(2-)F6Ti
  2936 Titanium(IV) hexafluoride (Geo)F6Ti
  2937 d1 [Ti(III)F6]3- 2T2gF6Ti
  2938 d2 [Ti(II)F6]4- 3T1gF6Ti
  2939 Ti(Cp)2(4-CF3C6H4)2C24H18F6Ti
  2940 Bicyclopentadienyl titanium di(trifluoroacetate)C14H10O4F6Ti
  2941 ((Me)3SiCH2)4TiC16H44Si4Ti
  2942 Ti(IV)N4 (VIRLAJ) (Geo)C16H44N4Si4Ti
  2943 Bicyclopentadienyl dithioethyl titaniumC14H20S2Ti
  2944 Bicyclopentadienyl dithiopropyl titaniumC16H24S2Ti
  2945 Ti(Cp)2(SC6H5)2 C22H20S2Ti
  2946 TiClClTi
  2947 Titanium(I) chloride (Geo)ClTi
  2948 Titanium(I) chlorideClTi
  2949 Bicyclopentadienyl methyl titanium chlorideC11H13ClTi
  2950 Ti(IV)ClC14 (RIRWUK) (Geo)C13H11ClTi
  2951 Ti(IV)ClC14C13H11ClTi
  2952 Bicyclopentadienyl phenyl titanium chlorideC16H15ClTi
  2953 TiCl(NH2)3 (Geo)H6N3ClTi
  2954 TiClOOClTi
  2955 Ti(III)Cp2ClP (DEWXEI) (Geo)C13H19PClTi


ΔHf: 35.1 kcal/mol,     REF: P. Winget, T. Clark, J. Mol. Model. 11, 439-456 (2005).
  
 PM7
Ti(Cp)2(SC6H5)2
 H=35.1 HR=WPCT05
 Ti     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.40432762 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.42952033 +1   71.6015748 +1    0.0000000 +0     2     1     0
  C     1.44397199 +1  107.9436890 +1   64.2429772 +1     3     2     1
  C     1.43106684 +1  107.8302704 +1    0.2317114 +1     4     3     2
  C     1.43426277 +1  108.2275139 +1   -1.3860640 +1     5     4     3
  C     2.39459820 +1  150.6991969 +1   87.7057693 +1     1     2     3
  C     1.43879183 +1   72.9419962 +1 -133.2308035 +1     7     1     2
  C     1.42973085 +1  108.0849541 +1   62.9429483 +1     8     7     1
  C     1.44378647 +1  107.9379504 +1    0.9404966 +1     9     8     7
  C     1.43119385 +1  107.8440960 +1    0.1846549 +1    10     9     8
  C     3.26775935 +1   74.3209829 +1 -169.2328747 +1     7     1     8
  C     3.26834128 +1   71.5863535 +1 -141.8085290 +1     6     5     4
  C     1.39564761 +1  108.0445992 +1 -119.5750695 +1    12     7     1
  C     1.39337680 +1  119.6303434 +1  -94.3928906 +1    14    12     7
  C     1.39408566 +1  120.1741123 +1   -0.3614430 +1    15    14    12
  C     1.39330391 +1  119.9138563 +1   -0.6152771 +1    16    15    14
  C     1.39409403 +1   85.6713123 +1 -120.6635079 +1    12     7    14
  C     1.39560345 +1  107.4233487 +1  -43.4304796 +1    13     6     5
  C     1.39350793 +1  119.6191286 +1  -95.1222071 +1    19    13     6
  C     1.39411019 +1  120.1706810 +1   -0.3350212 +1    20    19    13
  C     1.39329265 +1  119.9219493 +1   -0.5207631 +1    21    20    19
  C     1.39414364 +1   86.4755976 +1 -120.8759562 +1    13     6    19
  H     1.08626205 +1  132.9541807 +1 -121.2478429 +1     2     1     3
  H     1.08146088 +1  125.4120947 +1  166.3308797 +1     3     2     4
  H     1.08177861 +1  125.1772516 +1  165.9022266 +1     4     3     5
  H     1.08496868 +1  125.3718784 +1  167.9888904 +1     5     4     6
  H     1.08513221 +1  124.9960663 +1  -50.6139201 +1     6     5    13
  H     1.08495517 +1  131.9412909 +1   46.6863722 +1     7     1    12
  H     1.08633426 +1  125.2649020 +1  166.6119872 +1     8     7     9
  H     1.08151775 +1  125.3916793 +1  166.3160292 +1     9     8    10
  H     1.08181726 +1  125.1899340 +1  165.8545933 +1    10     9    11
  H     1.08492544 +1  125.3527518 +1  166.6261492 +1    11    10     9
  H     1.09024443 +1  120.9880604 +1 -179.7508525 +1    14    12    15
  H     1.08789628 +1  119.8456301 +1 -179.8918667 +1    15    14    16
  H     1.08748419 +1  119.9965722 +1 -179.6888904 +1    16    15    17
  H     1.08834319 +1  120.0330593 +1 -179.3492083 +1    17    16    15
  H     1.09163970 +1  121.3564030 +1  -73.1181178 +1    18    12     7
  H     1.09020130 +1  121.0191002 +1 -179.6349508 +1    19    13    20
  H     1.08787155 +1  119.8531562 +1 -179.8804062 +1    20    19    21
  H     1.08753916 +1  119.9916756 +1 -179.7373655 +1    21    20    22
  H     1.08837881 +1  120.0301001 +1 -179.4269882 +1    22    21    20
  H     1.09163049 +1  121.3456896 +1  -73.2090224 +1    23    13     6
  S     1.77654404 +1   79.1828886 +1 -122.3999122 +1    12     7    18
  S     1.77660966 +1   79.1565998 +1 -122.0928370 +1    13     6    23