%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                  0.29489793   -0.10884740   -3.68925725
 Au                 0.58178347    0.15990262   -1.38081606
 C                 -0.62272471    1.26231737   -4.49929665
 H                 -0.06937058    2.19893083   -4.38481588
 H                 -0.75235113    1.04471042   -5.56433923
 H                 -1.60363986    1.37893735   -4.02925554
 C                 -0.65285407   -1.61558070   -4.14514349
 H                 -1.63272289   -1.59999948   -3.66030749
 H                 -0.78220868   -1.66601923   -5.23135065
 H                 -0.10889100   -2.50188291   -3.80672728
 C                  1.84651796   -0.25449404   -4.66297909
 H                  2.39885111   -1.13611707   -4.32598259
 H                  1.61222359   -0.35461920   -5.72774483
 H                  2.46626348    0.63251587   -4.50693062
 C                  0.76275664    0.39602834    0.70370552
 C                 -0.06439740   -0.58291121    1.50525692
 H                  0.17786306   -1.60125927    1.18317115
 C                  1.45028573    1.39806074    1.26841137
 H                  2.00757543    2.11627426    0.67396803
 H                  1.49905057    1.58395520    2.34317181
 C                 -1.56938109   -0.39723961    1.31335543
 C                 -2.12709262    0.88317263    1.20732631
 C                 -2.40338327   -1.51860525    1.22614921
 C                 -3.50096826    1.04008909    1.01855602
 H                 -1.48083766    1.75314107    1.25811770
 C                 -3.77761962   -1.36231257    1.03625753
 H                 -1.98009853   -2.51700828    1.30145294
 C                 -4.32896680   -0.08231551    0.93098972
 H                 -3.92115251    2.03814075    0.93930755
 H                 -4.41513841   -2.23872007    0.96343287
 H                 -5.39772766    0.03692546    0.77935845
 N                  0.36301851    0.66048448    4.12627538
 C                 -0.71023568    1.66027297    4.09006027
 H                 -1.53931193    1.27110499    4.68478822
 H                 -0.32363902    2.58455164    4.51646659
 H                 -1.01162738    1.79774020    3.05077844
 C                  0.28781830   -0.66754447    3.50145599
 H                 -0.67797391   -1.12058433    3.75094330
 C                  1.61043505   -1.24257190    3.92401165
 O                  2.17607551   -2.24357705    3.75393035
 O                  2.24705058   -0.15248805    4.69362157
 N                  1.43188885    0.90666004    4.74896875

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

Au 0
SDD



