%nproc=8
%mem=19000MB
#p b3lyp/gen pseudo=(read) opt=(ts,noeigentest,calcfc) freq

title

0 1
 15           0       -2.020123   -1.634580   -0.269805
 46           0        0.088225   -0.486504    0.038021
 15           0        2.434684   -0.999333   -0.296813
 35           0       -0.171179    1.325336    2.177716
  6           0        3.711538   -0.258292    0.826224
  1           0        4.721642   -0.565821    0.533616
  1           0        3.651039    0.833389    0.797154
  1           0        3.524186   -0.582961    1.854026
  6           0        3.136543   -0.593017   -1.963954
  1           0        3.147832    0.491659   -2.104125
  1           0        4.157607   -0.977161   -2.066455
  1           0        2.506334   -1.031469   -2.742922 
  6           0        2.859839   -2.799743   -0.157223
  1           0        3.921492   -2.971081   -0.367746
  1           0        2.634009   -3.152774    0.853164
  1           0        2.255993   -3.374562   -0.865171
  6           0       -1.904631   -3.482899   -0.162088
  1           0       -1.514374   -3.766383    0.819641
  1           0       -2.883467   -3.954393   -0.308219
  1           0       -1.212256   -3.849902   -0.925148
  6           0       -2.837655   -1.414786   -1.916085
  1           0       -2.172851   -1.785767   -2.701480
  1           0       -3.789457   -1.955291   -1.967665
  1           0       -3.016910   -0.350983   -2.094656
  6           0       -3.429811   -1.311302    0.892256
  1           0       -4.291408   -1.942561    0.648111
  1           0       -3.113547   -1.520367    1.918367
  1           0       -3.734137   -0.262351    0.835343
  6           0       -0.271590    1.590162   -0.068577
  6           0       -1.566162    1.921895   -0.513901
  6           0        0.846465    2.272336   -0.585065
  6           0       -1.716669    2.807322   -1.585103
  1           0       -2.436652    1.489573   -0.036173
  6           0        0.676110    3.153868   -1.658311
  1           0        1.828977    2.114940   -0.157115
  6           0       -0.599915    3.418884   -2.169578
  1           0       -2.716198    3.027033   -1.951077
  1           0        1.548286    3.647317   -2.079006
  1           0       -0.725989    4.114447   -2.993799

-C -F -H -P -Br 0
6-31+G(d,p)
****
Pd 0
SDD
****

Pd 0
SDD

--link1--
%nproc=8
%mem=19000MB
#p b3lyp/gen pseudo=(read) scrf=(pcm,solvent=n,n-DiMethylFormamide) guess=(read) opt=(ts,noeigentest) freq
  
title
  
0 1
 15           0       -2.020123   -1.634580   -0.269805
 46           0        0.088225   -0.486504    0.038021
 15           0        2.434684   -0.999333   -0.296813
 35           0       -0.171179    1.325336    2.177716
  6           0        3.711538   -0.258292    0.826224
  1           0        4.721642   -0.565821    0.533616
  1           0        3.651039    0.833389    0.797154
  1           0        3.524186   -0.582961    1.854026
  6           0        3.136543   -0.593017   -1.963954
  1           0        3.147832    0.491659   -2.104125
  1           0        4.157607   -0.977161   -2.066455
  1           0        2.506334   -1.031469   -2.742922
  6           0        2.859839   -2.799743   -0.157223
  1           0        3.921492   -2.971081   -0.367746
  1           0        2.634009   -3.152774    0.853164
  1           0        2.255993   -3.374562   -0.865171
  6           0       -1.904631   -3.482899   -0.162088
  1           0       -1.514374   -3.766383    0.819641
  1           0       -2.883467   -3.954393   -0.308219
  1           0       -1.212256   -3.849902   -0.925148
  6           0       -2.837655   -1.414786   -1.916085
  1           0       -2.172851   -1.785767   -2.701480
  1           0       -3.789457   -1.955291   -1.967665
  1           0       -3.016910   -0.350983   -2.094656
  6           0       -3.429811   -1.311302    0.892256
  1           0       -4.291408   -1.942561    0.648111
  1           0       -3.113547   -1.520367    1.918367
  1           0       -3.734137   -0.262351    0.835343
  6           0       -0.271590    1.590162   -0.068577
  6           0       -1.566162    1.921895   -0.513901
  6           0        0.846465    2.272336   -0.585065
  6           0       -1.716669    2.807322   -1.585103
  1           0       -2.436652    1.489573   -0.036173
  6           0        0.676110    3.153868   -1.658311
  1           0        1.828977    2.114940   -0.157115
  6           0       -0.599915    3.418884   -2.169578
  1           0       -2.716198    3.027033   -1.951077
  1           0        1.548286    3.647317   -2.079006
  1           0       -0.725989    4.114447   -2.993799

-C -F -H -P -Br 0
6-31+G(d,p)
****
Pd 0
SDD
****

Pd 0
SDD




