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

Ti(Cp)2(2-MeC6H4O)2   2903 Ti(Cp)2(2-MeC6H4O)2

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    #  Species Formula
  2893 Ti(CH2C6H5)4C28H28Ti
  2894 Ti(NH2)4 (Geo)H8N4Ti
  2895 Ti(NHMe)4 (Geo)C4H16N4Ti
  2896 Titanium tetra(diethylamine)C16H40N4Ti
  2897 Ti(II)(NH3)6H18N6Ti
  2898 Ti(II)(NH3)6 (Geo)H18N6Ti
  2899 Ti(III)(CN)6 2T2gC6N6Ti
  2900 Titanium monoxideOTi
  2901 Titanium dioxideO2Ti
  2902 Ti(Cp)2(OC6H5)2C22H20O2Ti
  2903 Ti(Cp)2(2-MeC6H4O)2 C24H24O2Ti
  2904 Ti(Cp)2(3-MeC6H4O)2C24H24O2Ti
  2905 Ti(Cp)2(4-MeC6H4O)2C24H24O2Ti
  2906 Ti(Cp)2(4-MeOC6H4)2C24H24O2Ti
  2907 Titanium tetraisopropoxideC12H28O4Ti
  2908 Titanium tetrapropoxideC12H28O4Ti
  2909 Ti(O-s-C4H9)4C16H36O4Ti
  2910 Ti(O-t-butyl)4C16H36O4Ti
  2911 Titanium tetra-n-butoxideC16H36O4Ti
  2912 Ti(O-n-C5H11)4C20H44O4Ti
  2913 Ti(O-neo-C5H11)4C20H44O4Ti


ΔHf: -82.5 kcal/mol,     REF: P. Winget, T. Clark, J. Mol. Model. 11, 439-456 (2005).
  
 PM7
Ti(Cp)2(2-MeC6H4O)2
 H=-82.5 HR=WPCT05
 Ti     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.40550567 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.43567231 +1   72.9818236 +1    0.0000000 +0     2     1     0
  C     1.42440287 +1  108.2153252 +1   62.8899260 +1     3     2     1
  C     1.44591737 +1  107.8702290 +1    1.2439283 +1     4     3     2
  C     1.43213189 +1   73.1498658 +1  115.2761111 +1     2     1     3
  C     2.41494155 +1  148.1612933 +1   31.8074138 +1     1     2     3
  C     1.43277782 +1   72.3831088 +1  156.5854857 +1     7     1     2
  C     1.43550599 +1  107.7690148 +1   65.4028911 +1     8     7     1
  C     1.42384782 +1  108.2615708 +1   -2.6634075 +1     9     8     7
  C     1.42619797 +1   71.1879546 +1  117.1617776 +1     7     1     8
  C     3.14779587 +1   82.2250861 +1   49.4811070 +1     1     2     7
  C     3.14868621 +1   89.5971017 +1   96.4205318 +1     1     2    12
  C     1.40976248 +1  122.6153376 +1  -95.3839229 +1    12     1     2
  C     1.39352610 +1  117.8099996 +1 -179.5337240 +1    14    12     1
  C     1.39445670 +1  121.1563374 +1   -0.1868353 +1    15    14    12
  C     1.39336765 +1  120.1304632 +1   -0.1507460 +1    16    15    14
  C     1.38983341 +1  120.3110500 +1    0.2076700 +1    17    16    15
  C     1.40982366 +1  122.2593882 +1   93.5231831 +1    13     1     2
  C     1.39344655 +1  117.7831905 +1  179.8705705 +1    19    13     1
  C     1.39447448 +1  121.1537445 +1   -0.1228642 +1    20    19    13
  C     1.39340640 +1  120.1440649 +1   -0.1658931 +1    21    20    19
  C     1.38992302 +1  120.3132481 +1    0.1677204 +1    22    21    20
  H     1.08117702 +1  129.0972870 +1  122.5723877 +1     2     1     6
  H     1.08053850 +1  124.9774559 +1  171.0042333 +1     3     2     4
  H     1.07976772 +1  125.8191127 +1  166.6928872 +1     4     3     5
  H     1.07917009 +1  124.9707184 +1  166.8653493 +1     5     4     3
  H     1.08164529 +1  125.0511420 +1  125.6836158 +1     6     2     1
  H     1.08152618 +1  129.0670809 +1  121.6953987 +1     7     1    11
  H     1.08105741 +1  125.6372358 +1  168.1403630 +1     8     7     9
  H     1.08071315 +1  124.9602297 +1  171.5097918 +1     9     8    10
  H     1.07960034 +1  125.8520964 +1  168.2532067 +1    10     9     8
  H     1.07929971 +1  125.7267382 +1  128.6925054 +1    11     7     1
  C     1.48762462 +1  121.5424292 +1 -179.7126062 +1    14    12    15
  H     1.08892204 +1  119.5181507 +1 -179.9482784 +1    15    14    16
  H     1.08585680 +1  119.8247099 +1 -179.9213526 +1    16    15    17
  H     1.08845489 +1  119.9343542 +1 -179.9719295 +1    17    16    18
  H     1.08684609 +1  121.1372741 +1 -179.6876437 +1    18    17    16
  C     1.48759458 +1  121.5542132 +1 -179.6647809 +1    19    13    20
  H     1.08890800 +1  119.5208761 +1 -179.9609274 +1    20    19    21
  H     1.08586291 +1  119.8183980 +1 -179.9073869 +1    21    20    22
  H     1.08845329 +1  119.9349584 +1 -179.9604242 +1    22    21    23
  H     1.08680488 +1  121.1447090 +1 -179.6814435 +1    23    22    21
  O     1.31476842 +1  120.1728597 +1   -0.1511464 +1    12    14     1
  O     1.31499267 +1  120.1086308 +1    0.3374865 +1    13    19     1
  H     1.10056806 +1  111.3619171 +1   62.4780762 +1    34    14    12
  H     1.10019914 +1  111.6895256 +1 -119.8326523 +1    34    14    46
  H     1.09841042 +1  112.4854448 +1 -120.1564651 +1    34    14    47
  H     1.10025712 +1  111.7131976 +1  -56.7698018 +1    39    19    13
  H     1.09841366 +1  112.4878302 +1 -120.1767757 +1    39    19    49
  H     1.10061061 +1  111.3529240 +1 -119.9994234 +1    39    19    50