%nprocshared=12
%mem=20GB
#p wb97xd/genecp scrf=(solvent=dichloromethane,pcm) nosymm scf=yqc

TS34 transition state ATS3

1 1 
 6            0.873848    0.371828    0.811424
 6            1.365280    1.433710   -0.125146
 6            1.019968    2.792239   -0.003510
 6            2.164252    1.063830   -1.219405
 6            1.473221    3.729343   -0.926655
 1            0.387583    3.119906    0.811004
 6            2.607782    2.003682   -2.143411
 1            2.443676    0.023989   -1.354379
 6            2.268973    3.346608   -2.002635
 1            1.188404    4.770328   -0.803001
 1            3.224300    1.678867   -2.976624
 1            2.614792    4.081305   -2.722980
 6            0.435697    0.624556    2.170115
 8            0.503520   -0.331135    2.999942
 8           -0.060113    1.791978    2.510018
 6           -0.611633    1.951791    3.837275
 1           -1.411715    1.218493    3.967311
 1            0.173740    1.750139    4.569173
 6            1.606609   -0.956710    0.873987
 6            3.067055   -1.099703    1.024561
 6            1.209907   -2.161676    0.229742
 6            3.415011   -2.376581    0.568146
 6            4.057397   -0.259129    1.533262
 1            0.218396   -2.459369   -0.091537
 6            4.714842   -2.872993    0.609714
 6            5.362130   -0.731365    1.570325
 1            3.811371    0.739893    1.879395
 6            5.686006   -2.022850    1.119182
 1            4.956075   -3.870060    0.258195
 1            6.151281   -0.092447    1.953416
 1            6.715980   -2.360683    1.166720
 1            1.126969   -1.119933    2.100255
 7            2.244014   -2.981400    0.094736
29           -0.971275    0.086833    0.031417
15           -3.053684   -0.516677   -0.428281
 7           -3.425979   -1.482767   -1.753607
 7           -4.101649    0.683041   -0.943730
 8           -3.764156   -1.203806    0.874344
 6           -4.549372   -0.982451   -2.446688
 6           -2.736251   -2.708837   -2.026860
 6           -4.916860    0.230006   -2.009179
 6           -3.797673    2.063174   -0.680368
 6           -2.940793   -1.893760    1.833715
 1           -5.008433   -1.579083   -3.221145
 6           -1.500926   -2.647567   -2.704821
 6           -3.280646   -3.925337   -1.579617
 1           -5.732821    0.847663   -2.353743
 6           -4.242926    2.635861    0.522674
 6           -3.002148    2.778172   -1.597449
 1           -2.136462   -1.228584    2.175864
 1           -2.480308   -2.765040    1.353065
 6           -3.818921   -2.311801    2.991503
 6           -0.810420   -3.841688   -2.913686
 6           -0.969469   -1.333289   -3.257517
 6           -2.561080   -5.096223   -1.834801
 6           -4.627669   -3.995797   -0.878178
 6           -3.871919    3.954340    0.797669
 6           -5.069974    1.853910    1.528587
 6           -2.674223    4.098459   -1.285553
 6           -2.512882    2.166241   -2.901982
 1           -3.221377   -2.854412    3.730279
 1           -4.259377   -1.435073    3.473844
 1           -4.625367   -2.965070    2.646548
 1            0.142951   -3.829334   -3.431393
 6           -1.336073   -5.056469   -2.485352
 1           -1.240922   -0.535889   -2.557020
 6            0.552635   -1.290105   -3.408619
 6           -1.654873   -1.019414   -4.596842
 1           -2.963141   -6.052498   -1.514373
 1           -4.880496   -2.990672   -0.530598
 6           -4.607006   -4.911972    0.352216
 6           -5.718737   -4.447706   -1.861100
 1           -4.195056    4.418880    1.725104
 6           -3.097691    4.681597   -0.097120
 1           -5.345037    0.901845    1.068557
 6           -4.234271    1.538094    2.776436
 6           -6.367303    2.582234    1.900831
 1           -2.069267    4.677136   -1.977350
 1           -2.724183    1.094216   -2.879305
 6           -1.000874    2.327038   -3.090333
 6           -3.283493    2.746722   -4.095594
 1           -0.788938   -5.976634   -2.667421
 1            0.870973   -0.264639   -3.620653
 1            1.058454   -1.613780   -2.492417
 1            0.901016   -1.923350   -4.232059
 1           -1.454832   -1.817593   -5.320726
 1           -1.275510   -0.080358   -5.013283
 1           -2.739021   -0.925479   -4.480610
 1           -4.507230   -5.967100    0.074689
 1           -5.545529   -4.808116    0.906935
 1           -3.781969   -4.663800    1.027944
 1           -5.510976   -5.458096   -2.232374
 1           -5.784022   -3.779977   -2.725822
 1           -6.695765   -4.460915   -1.366095
 1           -2.822636    5.706854    0.131618
 1           -4.799975    0.903386    3.467041
 1           -3.310868    1.013362    2.504714
 1           -3.959240    2.454942    3.310834
 1           -6.170169    3.524922    2.423654
 1           -6.970699    1.955053    2.565972
 1           -6.962185    2.806756    1.009535
 1           -0.702119    3.377788   -3.156892
 1           -0.683978    1.837204   -4.017105
 1           -0.438977    1.881164   -2.262706
 1           -3.102227    3.823411   -4.193327
 1           -4.361376    2.592251   -3.981668
 1           -2.964033    2.261932   -5.024749
 1            2.184815   -3.925598   -0.264235
 6           -1.123169    3.372112    3.919391
 1           -1.858301    3.561409    3.131081
 1           -1.602120    3.532158    4.889527
 1           -0.302675    4.087530    3.813646

-C -N -O -P -H 0 
cc-pVTZ 
****
-Cu 0
cc-pVTZ 
F  1  1.0 
3.525    1.000
****




