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

Direct TS

0 1
 P                 -0.00007838   -0.23786342   -2.89681075
 Au                 0.02894483   -0.39116014   -0.60044564
 C                 -1.68952812   -0.12165946   -3.60560258
 H                 -2.19549686    0.75569626   -3.19323324
 H                 -1.63870555   -0.03725336   -4.69618278
 H                 -2.25975009   -1.01477679   -3.33486965
 C                  0.76855895   -1.65952036   -3.76876142
 H                  0.23682276   -2.57817218   -3.50490081
 H                  0.72335816   -1.51059625   -4.85282717
 H                  1.81248659   -1.75701121   -3.45743465
 C                  0.87807201    1.23590225   -3.55025664
 H                  1.92428843    1.20591315   -3.23332591
 H                  0.82741088    1.25438872   -4.64407252
 H                  0.41506761    2.14050719   -3.14629338
 C                  0.01650543   -0.70743335    1.56875334
 C                  1.06610802   -1.85192574    1.85307055
 H                  1.98537812   -1.72509169    1.28226448
 C                 -1.33358490   -0.97180231    2.15717419
 H                 -2.24177618   -1.00443665    1.56827479
 N                  0.02540613   -1.07316211    4.01433167
 C                  0.19898372   -0.18740573    5.16711724
 H                  0.06198921    0.87217958    4.90072551
 H                 -0.53606835   -0.45430847    5.93165919
 H                  1.19900249   -0.32297515    5.58893142
 C                  0.92782323   -0.86333795    2.92528513
 H                  1.72688232   -0.15126237    3.10669918
 C                 -1.27879791   -1.17176445    3.48560722
 H                 -2.09164689   -1.39940488    4.16659126
 C                 -0.10219878    2.66701492    0.95248445
 O                  0.69602117    1.87959670    1.59387358
 O                 -1.14462224    2.31621926    0.36558761
 C                  0.33610250    4.13160419    0.91176374
 H                  1.14635587    4.24177307    0.17987396
 H                 -0.49415820    4.77637347    0.61307336
 H                  0.72759784    4.44721473    1.88367632
 H                  0.31911701    0.54963644    1.44609421
 H                  0.74907928   -2.87121653    1.92682056

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

Au
SDD



