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

ti2(oet)4cl4r   3000 Cl2(C2H5O)Ti-(C2H5O)2-TiCl2(C2H5O) (Geo)

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    #  Species Formula
  2990 Ti(IV)Cl4O2 (BOMFAK) (Geo)C4H10O2Cl4Ti
  2991 Ti(IV)Cl4O2C4H10O2Cl4Ti
  2992 Ti(IV)Cl4S(=) (GERHAM) (Geo)SCl4Ti
  2993 Ti(IV)Cl6(2-) (BARMAJ) (Geo)Cl6Ti
  2994 Ti(IV)Cl6(2-)Cl6Ti
  2995 Ti(III)Cl6 2T2gCl6Ti
  2996 Bicyclopentadienyl titanium di(trichloroacetate)C14H10O4Cl6Ti
  2997 Ti(II)(C6H6)Cl4 (BELYIA01) (Geo)C6H6Al2Cl8Ti
  2998 Titanium, dimer (Geo)Ti2
  2999 Ti(IV)2OCl4Cp2 (CYTIDC) (Geo)C10H10OCl4Ti2
  3000 Cl2(C2H5O)Ti-(C2H5O)2-TiCl2(C2H5O) (Geo) C8H20O4Cl4Ti2
  3001 Ti(IV)2O6Cl6 (YARSOZ) r (Geo)C10H20O6Cl6Ti2
  3002 Ti(III)2Cl6(PMe3)3 (LETMIG) (Geo)C12H36P4Cl6Ti2
  3003 Ti(IV)2Cl9(MeCN)2 (MALYAZ) r (Geo)C4H6N2Cl8Ti2
  3004 Ti(IV)2Cl9(MeCN)2C4H6N2Cl8Ti2
  3005 Ti(IV)2Cl8O2 (GEXSAD) (Geo)C8H16O2Cl8Ti2
  3006 Ti(IV)2Cl8O2 (CLNMTI) (Geo)C2H6N2O4Cl8Ti2
  3007 Ti(IV)2Cl8O2C2H6N2O4Cl8Ti2
  3008 Ti2Cl9, anion (Geo)Cl9Ti2
  3009 V, cationV
  3010 Vanadium, atomV


REF: "Structural Inorganic Chemistry", A. F. Wells, Clarendon Press, Oxford, 1984.
  
 SHIFT=80 PM7
Cl2(C2H5O)Ti-(C2H5O)2-TiCl2(C2H5O)
 <Ti-O(ter)> <><> <Ti-O(Br)><><> <Ti-Cl><><> GR=WELLS84
 Ti     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.77000000 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Ti     3.39481472 +1  132.3565361 +1    0.0000000 +0     1     2     0
  O     1.96000000 +1  166.6922998 +1   -1.9863933 +1     1     2     3
 Cl     2.20000000 +1   95.4048753 +1 -137.9754780 +1     1     2     3
 Cl     2.37927130 +1   87.5598434 +1  122.3892438 +1     1     2     5
  O     1.76913472 +1  102.8010645 +1   54.9989660 +1     3     1     2
 Cl     4.37936283 +1   30.4333950 +1   50.3472674 +1     3     1     7
 Cl     2.24689795 +1  125.1883411 +1   57.8015592 +1     3     1     8
  O     1.77132648 +1  120.9715602 +1  125.3658533 +1     3     1     9
  C     1.38196619 +1  149.3911376 +1 -177.0121710 +1     2     3     1
  C     1.52858090 +1  109.0288017 +1  153.7448164 +1    11     2     7
  C     1.42600466 +1  122.5989169 +1  -45.3909190 +1     4     1     5
  C     1.52666030 +1  109.6666168 +1  109.2230011 +1    13     4     1
  C     1.38030688 +1  176.3216470 +1  -12.2184111 +1     7     3     1
  C     1.52836023 +1  109.0730372 +1   19.4384721 +1    15     7     8
  C     1.37916478 +1  139.0632182 +1  175.5891859 +1    10     1     3
  C     1.52914788 +1  109.1245827 +1  -54.3460798 +1    17    10     4
  H     1.11003817 +1  107.3709750 +1 -121.3694622 +1    11     2    12
  H     1.11059859 +1  107.1264482 +1 -117.4077608 +1    11     2    19
  H     1.09373644 +1  111.3479511 +1 -179.9628009 +1    12    11     2
  H     1.09831132 +1  111.1284964 +1 -120.5725040 +1    12    11    21
  H     1.09793379 +1  111.1706043 +1 -118.7763933 +1    12    11    22
  H     1.11584092 +1  108.6288509 +1 -121.3541753 +1    13     4    14
  H     1.11241131 +1  108.1435918 +1 -115.5863428 +1    13     4    24
  H     1.09751979 +1  110.5493290 +1 -161.2983799 +1    14    13     4
  H     1.09721168 +1  112.7875524 +1 -119.8935877 +1    14    13    26
  H     1.09916260 +1  111.9209077 +1 -120.8748902 +1    14    13    27
  H     1.11047360 +1  107.2110290 +1 -121.4188750 +1    15     7    16
  H     1.11095053 +1  106.9375451 +1 -117.4072170 +1    15     7    29
  H     1.09364060 +1  111.4215112 +1  178.6137880 +1    16    15     7
  H     1.09831125 +1  111.2003135 +1 -120.6592535 +1    16    15    31
  H     1.09911573 +1  111.3415260 +1 -118.7785616 +1    16    15    32
  H     1.11081979 +1  107.1158869 +1 -121.1692495 +1    17    10    18
  H     1.11091743 +1  107.2034892 +1 -117.4376469 +1    17    10    34
  H     1.09408564 +1  111.2755375 +1 -177.9880606 +1    18    17    10
  H     1.09692184 +1  111.3096757 +1 -120.6410814 +1    18    17    36
  H     1.09884222 +1  111.0032916 +1 -119.0737506 +1    18    17    37