%nprocshared=8
%mem=22GB
#p opt=(ts,calcfc,noeigentest,maxstep=10) freq b3lyp genecp nosymm empiricaldispersion=gd3 scrf=(pcm,solvent=dichloromethane) scf=maxcyc=512

Direct TS

1 1
 C                 -0.74758320   -0.68993834    0.02672803
 C                  0.44084552   -1.56011932   -0.39070555
 H                  1.10218978   -1.16478835   -1.15605704
 C                 -1.18159581   -0.98718307    1.42622979
 H                 -2.06803972   -0.48186420    1.79844510
 C                  0.24008763   -3.09143242   -0.62097660
 C                 -1.00939241   -3.71884704   -0.31267441
 C                  1.11979478   -3.79593869   -1.50424530
 C                 -1.28749220   -5.00130827   -0.75582394
 H                 -1.73754679   -3.19128107    0.28899512
 C                  0.82699164   -5.07010198   -1.95413275
 H                  2.05532739   -3.32329980   -1.79245549
 C                 -0.37414160   -5.68280670   -1.57124049
 H                 -2.23183087   -5.46691323   -0.49292246
 H                  1.52250755   -5.58871900   -2.60577762
 H                 -0.60388830   -6.68512243   -1.91967838
 N                  0.66154132   -2.47739427    1.88758119
 C                  1.10842270   -3.59571597    2.71357946
 H                  1.12854886   -3.28731965    3.76167248
 H                  0.43159716   -4.45446476    2.60458225
 H                  2.11460011   -3.89519761    2.41315925
 C                  1.08841446   -2.39818520    0.59093401
 H                  2.12794960   -2.67688067    0.46094248
 C                 -0.52504875   -1.80779711    2.26631484
 H                 -0.83456929   -1.98762557    3.28861968
 H                 -1.58003761   -0.85282937   -0.67324657
 P                  0.26480044    3.67666725   -0.22754858
 Au                -0.25562939    1.38218531   -0.09817682
 C                  0.69665328    4.45741355    1.37936404
 H                  1.57083649    3.95574680    1.80432039
 H                  0.91859925    5.52098048    1.24241106
 H                 -0.14134312    4.34817572    2.07379879
 C                 -1.09447283    4.72396128   -0.88699369
 H                 -1.97396311    4.62965005   -0.24326922
 H                 -0.78453939    5.77353636   -0.92690358
 H                 -1.35910666    4.38534669   -1.89278446
 C                  1.69535441    4.06000299   -1.31682066
 H                  1.48728407    3.70145817   -2.32915541
 H                  1.87952873    5.13911342   -1.34461089
 H                  2.58679606    3.54938784   -0.94117710

C H P N 0
6-31G(d)
****
Au 0
SDD
****

Au 0
SDD


