%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

1 1
 P                 -0.45703168    0.06662179   -3.18040704
 Au                 0.23858541   -0.01159780   -0.94516727
 C                 -0.93841783    1.74415757   -3.75043817
 H                 -0.08606212    2.42200364   -3.64932944
 H                 -1.25636312    1.71189758   -4.79775387
 H                 -1.75967045    2.11704377   -3.13197921
 C                 -1.92044593   -0.98464929   -3.53218830
 H                 -2.75882512   -0.66293264   -2.90806429
 H                 -2.19819376   -0.90263234   -4.58805126
 H                 -1.68605196   -2.02673536   -3.29722863
 C                  0.81458345   -0.48789371   -4.38263729
 H                  1.10060290   -1.51959918   -4.16009842
 H                  0.42066581   -0.43093716   -5.40278397
 H                  1.69956422    0.14882902   -4.29761573
 C                  0.91865775   -0.05079744    1.06144128
 C                 -0.20664545   -0.54143962    1.79976545
 H                 -0.44123904   -1.59264252    1.64658162
 C                  2.14506335    0.33527248    1.41580755
 H                  2.86864355    0.69308011    0.68974436
 H                  2.48128668    0.30311164    2.45201293
 C                  0.79399655    0.97710517    4.91423796
 H                  0.30145311    1.81753359    4.40775497
 H                  0.81215912    1.20276468    5.98550884
 H                  1.81980228    0.90950759    4.55148677
 C                  0.52832713   -1.30174999    3.84434951
 H                  1.57748210   -1.33428839    3.58375638
 H                 -0.03292774   -2.22826250    3.79683244
 C                  0.05128591   -0.29090628    4.64384701
 O                 -1.18547353   -0.44933718    5.11383888
 C                 -1.87397932    0.62968739    5.77577970
 H                 -2.85567481    0.22833489    6.02311239
 H                 -1.35187616    0.92373449    6.68997676
 H                 -1.98688049    1.48411442    5.10370982
 H                 -1.05143238    0.07495357    2.02624830

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

Au
SDD



