%nprocshared=24
%mem=41GB
#p opt=(ts,calcfc,noeigentest,maxstep=10) freq b3lyp genecp nosymm empiricaldispersion=gd3 scrf=(pcm,solvent=dichloromethane) scf=maxcyc=512

Direct TS

1 1
 P                 -1.82439494   -0.22867472   -3.00852326
 Au                -0.72338700    0.06393115   -0.96161415
 C                 -3.45903908    0.59725052   -3.12248749
 H                 -3.33687531    1.67260469   -2.96646311
 H                 -3.90212707    0.41894390   -4.10762156
 H                 -4.12229399    0.20140776   -2.34826708
 C                 -2.15043072   -1.98513584   -3.42779704
 H                 -2.79126761   -2.42976330   -2.66130589
 H                 -2.64531782   -2.05581027   -4.40193497
 H                 -1.20444934   -2.53288952   -3.45819550
 C                 -0.85420468    0.42563823   -4.42232904
 H                  0.11430039   -0.08103166   -4.46183149
 H                 -1.39073981    0.26173786   -5.36248321
 H                 -0.68516931    1.49693606   -4.28189798
 C                  0.43113754    0.27388094    0.81198486
 C                 -0.60221602    0.34367858    1.76991468
 H                 -1.23009906   -0.52996677    1.94928225
 C                  1.76673876    0.30276542    0.91704563
 H                  2.17638753    0.31911774    1.93025923
 H                 -1.12034820    1.29209868    1.90576950
 C                  2.77271660    0.27361754   -0.15938170
 C                  4.01940129   -0.32360594    0.09882126
 C                  2.55288547    0.83288425   -1.43189268
 C                  4.99709424   -0.40141694   -0.89368743
 H                  4.21577387   -0.74155249    1.08345062
 C                  3.53018009    0.75806534   -2.42359398
 H                  1.62105037    1.35357300   -1.63514842
 C                  4.75406724    0.13401628   -2.16133774
 H                  5.94944305   -0.87674878   -0.67577241
 H                  3.34193049    1.20141143   -3.39770769
 H                  5.51615494    0.07934495   -2.93352411
 C                 -0.64073049   -0.87889710    5.30419094
 C                 -1.29684919    0.39682760    5.45642277
 N                  0.13573692   -0.79357612    4.24145093
 H                 -0.71753589   -1.76285211    5.91604317
 O                 -0.77442799    1.15042190    4.37935497
 O                 -2.09190015    0.85426063    6.23813136
 C                  1.03127360   -1.82605187    3.70082855
 H                  2.05420997   -1.57773586    3.98852741
 H                  0.73523678   -2.78553223    4.12077110
 H                  0.93853980   -1.83357152    2.61464533
 C                  0.12689569    0.40435482    3.64542772
 H                  1.10363774    0.84017986    3.67594826

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

Au 0
SDD



