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

bicyclopentadienyl phenyl titanium chloride   2952 Bicyclopentadienyl phenyl titanium chloride

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    #  Species Formula
  2942 Ti(IV)N4 (VIRLAJ) (Geo)C16H44N4Si4Ti
  2943 Bicyclopentadienyl dithioethyl titaniumC14H20S2Ti
  2944 Bicyclopentadienyl dithiopropyl titaniumC16H24S2Ti
  2945 Ti(Cp)2(SC6H5)2C22H20S2Ti
  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 chloride C16H15ClTi
  2953 TiCl(NH2)3 (Geo)H6N3ClTi
  2954 TiClOOClTi
  2955 Ti(III)Cp2ClP (DEWXEI) (Geo)C13H19PClTi
  2956 Ti(IV)S6Cl (CSACTI) (Geo)C6H9S6ClTi
  2957 Ti(IV)S6ClC6H9S6ClTi
  2958 Titanium dichlorideCl2Ti
  2959 Bicyclopentadienyl titanium dichlorideC10H10Cl2Ti
  2960 Bicyclopentadienyl titanium dichloride (Geo)C10H10Cl2Ti
  2961 Ti(IV)Cp2Cl2 (CDCPTI) (Geo)C10H10Cl2Ti
  2962 Ti(IV)Cp2Cl2C10H10Cl2Ti


ΔHf: 9.7 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.
  
 PM7
Bicyclopentadienyl phenyl titanium chloride
 H=9.66 HR=NIST
 Ti     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.37482215 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.43614302 +1   71.4934425 +1    0.0000000 +0     2     1     0
  C     1.44314103 +1  107.6557738 +1   65.4246553 +1     3     2     1
  C     1.42939763 +1  107.9689069 +1    0.0532375 +1     4     3     2
  C     1.43539778 +1   73.3229778 +1  116.1907723 +1     2     1     3
  C     2.37168012 +1  123.8337587 +1   75.8209389 +1     1     2     3
  C     1.43539590 +1   73.4389254 +1  168.7252262 +1     7     1     2
  C     1.43149350 +1  108.0374760 +1   64.6452757 +1     8     7     1
  C     1.42955077 +1  108.2827266 +1   -1.0364089 +1     9     8     7
  C     1.43676322 +1   71.5719749 +1  116.0615251 +1     7     1     8
  C     2.16685365 +1   70.5892622 +1   48.4931953 +1     1     2     7
 Cl     2.26425860 +1  112.5393031 +1   91.8753115 +1     1     2    12
  C     1.40099425 +1  123.0552671 +1  -69.1393912 +1    12     1     2
  C     1.39211308 +1  120.5611505 +1  179.7565497 +1    14    12     1
  C     1.39465491 +1  120.1427320 +1    0.0102868 +1    15    14    12
  C     1.39059185 +1  119.4664088 +1    0.0486977 +1    16    15    14
  C     1.39856722 +1  120.6115216 +1   -0.0535064 +1    17    16    15
  H     1.08545562 +1  131.3458083 +1  122.4440757 +1     2     1     6
  H     1.08114643 +1  125.3471002 +1  165.1698312 +1     3     2     4
  H     1.08157444 +1  125.1379795 +1  166.6933972 +1     4     3     5
  H     1.08288664 +1  125.6914304 +1  170.4354553 +1     5     4     3
  H     1.08350779 +1  125.3267057 +1  127.0613616 +1     6     2     1
  H     1.08553922 +1  131.3675612 +1  121.4195332 +1     7     1    11
  H     1.08344681 +1  125.3684863 +1  168.3944495 +1     8     7     9
  H     1.08282034 +1  125.3610333 +1  171.1850286 +1     9     8    10
  H     1.08160425 +1  125.3722936 +1  167.4311384 +1    10     9     8
  H     1.08120664 +1  125.2929385 +1  129.3898692 +1    11     7     1
  H     1.09009910 +1  120.9978144 +1 -179.9755277 +1    14    12    15
  H     1.08757394 +1  119.8862778 +1  179.9888985 +1    15    14    16
  H     1.08572743 +1  120.2196335 +1  179.9576887 +1    16    15    17
  H     1.08843901 +1  120.0531586 +1 -179.9829271 +1    17    16    18
  H     1.09062857 +1  117.1011314 +1  179.9876240 +1    18    17    16