%nprocshared=8
%mem=22GB
#p opt=(ts,calcfc,noeigentest,maxstep=4) freq b3lyp genecp nosymm empiricaldispersion=gd3 scrf=(pcm,solvent=dichloromethane) scf=(xqc,maxcyc=512)

Direct TS

1 1
 P                  0.04811335   -1.37429455   -3.09142120
 Au                 0.18860696   -0.34745251   -1.05104897
 C                 -1.35569257   -0.68231364   -4.04378285
 H                 -1.20556612    0.39488474   -4.15148348
 H                 -1.41769347   -1.14689014   -5.03338989
 H                 -2.28581329   -0.84928104   -3.49460965
 C                 -0.17615769   -3.19432024   -3.10382743
 H                 -1.09892733   -3.46620346   -2.58375528
 H                 -0.21813008   -3.54296220   -4.14038531
 H                  0.66926958   -3.66696823   -2.59691554
 C                  1.52118291   -1.08895499   -4.14728022
 H                  2.39095576   -1.58919398   -3.71278761
 H                  1.32814240   -1.48785702   -5.14787133
 H                  1.71978833   -0.01532891   -4.20728030
 C                  0.14687939    0.72280110    0.88917443
 C                  1.03561779   -0.11873223    1.86950626
 H                  1.93627370   -0.50915575    1.39896158
 C                 -1.27850793    0.97677563    1.42319459
 H                 -1.83544014    0.05617469    1.63410154
 C                  0.40966025   -1.04793155    2.86359163
 C                 -0.38216687   -2.10831461    2.39545689
 C                  0.62051900   -0.91673893    4.24181093
 C                 -0.94782385   -3.01877613    3.28801935
 H                 -0.55277447   -2.21203173    1.32694510
 C                  0.04986083   -1.82485436    5.13720714
 H                  1.24796848   -0.11512687    4.61975201
 C                 -0.73624607   -2.87657296    4.66253606
 H                 -1.55496570   -3.83721345    2.91171263
 H                  0.22335965   -1.71021695    6.20325897
 H                 -1.18136295   -3.58226988    5.35767627
 N                  0.15206968    1.99661605    2.92075362
 C                  0.68898091    2.81814972    4.01035452
 H                  1.31419497    3.59774612    3.56952323
 H                 -0.13387222    3.26432685    4.56674178
 H                  1.30019561    2.19280645    4.66392159
 C                  1.05602158    1.36189908    1.96499849
 H                  1.93029381    1.95819963    1.73336584
 C                 -1.09178134    1.76107826    2.66835752
 H                 -1.87006007    2.12327522    3.33266400
 C                 -0.48029515    3.08944280   -1.29895736
 O                  0.55647248    2.76304924   -0.57661279
 O                 -1.53613445    2.44059284   -1.35134502
 C                 -0.30402723    4.37039053   -2.10140190
 H                  0.50415714    4.24665858   -2.83130645
 H                 -1.22914015    4.62503044   -2.62174805
 H                 -0.01589124    5.19019579   -1.43513056
 H                  0.39670195    1.64648261    0.01080056
 H                 -1.86665032    1.55447121    0.69606352

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

Au 0
SDD


