%nprocshared=20
%Mem=41GB
%chk=Cl-TS3a-3a2.chk
#p opt=(ts,noeigentest,calcfc,maxstep=3) freq=noraman SCRF=(PCM,Solvent=Dichloromethane) B3LYP genecp EmpiricalDispersion=GD3 nosymm scf(xqc,maxcyc=512) gfinput gfprint

direct TS search

1 1
 C                  3.18980424   -1.65232015   -0.52106380
 C                  1.90878507   -1.21605912   -0.14553618
 C                  0.97118568   -2.14887295    0.31754812
 C                  2.59423067   -3.92683736   -0.02168230
 H                 -0.01473959   -1.82746152    0.63854802
 H                  2.85524743   -4.97947850    0.03556155
 C                  1.79499214    0.25113323   -0.31030054
 C                  0.66171273    0.98627533   -0.28229162
 C                  4.06066998   -0.50989949   -0.98028820
 H                  4.20299185   -0.50254725   -2.06650874
 H                  5.05832734   -0.52526478   -0.53035843
 C                  3.22197415    0.78262351   -0.60589495
 H                  3.22799675    1.50124970   -1.42627130
 C                  3.81441697    1.37989293    0.59998155
 C                  3.81811677    0.67804522    1.89351876
 H                  4.86811110    0.53542004    2.19365622
 H                  3.40308527    1.35051646    2.65881659
 H                  3.28994624   -0.27310646    1.89562249
 C                  4.42771228    2.71222734    0.52920228
 H                  3.58078406    3.42195309    0.53555887
 H                  5.07552650    2.94146746    1.37702562
 H                  4.93119358    2.87207579   -0.43094515
 P                 -3.53016457   -0.30768897    0.14268357
 C                 -4.69838560    0.99853020    0.69068444
 H                 -5.70989391    0.59020647    0.78513906
 H                 -4.37451077    1.39485615    1.65723531
 H                 -4.70184976    1.81322674   -0.03904191
 C                 -3.72967595   -1.65820338    1.37137690
 H                 -4.77772521   -1.96849454    1.43522950
 H                 -3.11471878   -2.51223748    1.07317061
 H                 -3.39295252   -1.30930011    2.35178765
 C                 -4.26701423   -0.97426957   -1.40164942
 H                 -4.25454398   -0.20075908   -2.17469626
 H                 -3.67474176   -1.82597573   -1.74801300
 H                 -5.29843413   -1.29602815   -1.22406807
 Au                -1.30974209    0.39807737   -0.08530938
 C                  1.32028692   -3.49962681    0.37161446
 H                  0.59724588   -4.22380938    0.73602823
 C                  3.53992066   -2.99818119   -0.46885978
 H                  4.53516570   -3.32038538   -0.76256447
 Cl                 0.84342279    2.72260894   -0.50528727

C H P Cl 0
6-31G*
****
Au 0
SDD 
****

Au 0
SDD

