Transition state search using MOPAC.

 Dear all,
 I need some help from people who uses MOPAC frequently,
 as I'm a real beginner of using MOPAC.
 I want to search the transition state(TS) of the following
 reaction with MOPAC93:
    H              H     H                       H H H
    |               \   /                        | | |
  H-C(+)       +     C=C     ---->(TS?)---->   H-C-C-C(+)
    |               /   \                        | | |
    H              H     H                       H H H
  gas-phase                                     gas-phase
    methyl         ethylene                   primary propyl
 carbenium ion                                 carbenium ion
 After reading the session of transition state location(SADDLE)
 in MOPAC manual, I have prepared the following input data for
 MOPAC:
 ***************************************************************
 UHF  SADDLE DENSITY GRAPH XYZ CHARGE=1 BAR=0.03
 Me--->p methylation activated complex
  C     .000000 0     .000000 0     .000000 0       0    0    0
  H    1.113983 1     .000000 0     .000000 0       1    0    0
  H    1.113983 1  120.001495 1     .000000 0       1    2    0
  H    1.113968 1  119.999756 1 -179.453217 1       1    2    3
  C    5.210007 1  129.371857 1 -179.367538 1       1    2    3
  C    1.336975 1  114.626526 1   -2.741700 1       5    1    2
  H    1.099976 1  120.501572 1 -179.999634 1       5    6    1
  H    1.100006 1  119.749710 1 -179.453217 1       5    6    7
  H    1.099976 1  120.499832 1  179.999634 1       6    5    7
  H    1.099976 1  119.749710 1     .547287 1       6    5    7
  0    0.000000 0    0.000000 0    0.000000 0       0    0    0
  C     .000000 0     .000000 0     .000000 0       0    0    0
  C    1.506600 1     .000000 0     .000000 0       1    0    0
  C    1.418946 1  116.679237 1     .000000 0       2    1    0
  H    1.118213 1  111.091591 1  -60.563965 1       1    2    3
  H    1.119848 1  109.781792 1  179.985870 1       1    2    3
  H    1.118203 1  111.102783 1   60.532600 1       1    2    3
  H    1.150792 1  110.664017 1  174.500137 1       2    1    4
  H    1.150722 1  110.665337 1   64.389313 1       2    1    4
  H    1.109605 1  121.234596 1  179.993790 1       3    2    1
  H    1.110235 1  121.565987 1    -.003556 1       3    2    1
  0    0.000000 0    0.000000 0    0.000000 0       0    0    0
 ****************************************************************
 The result with this input data was terrible; in the transition
 state, H2 and H were separated!
 The data were prepared as follows:
 1. I've drawn two reactants using CS Chem 3D Pro and save as
    MOPAC input.  I could not optimize the geometry of these
    two molecules in MOPAC simulatneously, since there are two
    molecules exist.
 2. The data for the product carbenuim ions was prepared
    with CS Chem3D Pro again, and the geometry of this
    molecule was minimized with MOPAC keywards,
       "SYMMETRY CHARGE=1 AM1 GEO-OK EF PRECISE"
    and then saved as an optimezed data for the product
    carbenium ion.
 3. Then I combined these two files and modified according
    to the decription in the MOPAC manual for SADDLE
    calculation.
 4. And I've got the terrible result.
 What's wrong with my input data for the SADDLE calculation?
 Is it really possible to get the optimized geometry of
 transition state for the reaction I mentioned above by
 using MOPAC?
 If so, could anyone PLEASE tell me how I can get a reliable
 structure of the transition state theoretically?
 ANY suggestion/advice will be GREATLY APPRECIATED!
 Thank you very much in advence.
 				Sincerely,
 				     Park, TAE-YUN
 =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=
 State University of Ghent
 Laboratorium voor Petrochemische Techniek
 Krijgslaan 281, Blok S5
 9000 Gent, Belgium
 TEL:+(32)-0(9)-264-4527
 FAX:+(32)-0(9)-264-4999
 e-mail: tp[ AT ]elptrs7.rug.ac.be
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