%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                  0.61183781   -0.15830711   -4.29711342
 Au                -0.21560417    0.07251916   -2.11842136
 C                  2.38645881   -0.62586238   -4.36342760
 H                  2.52759891   -1.58718180   -3.86137706
 H                  2.72171523   -0.70399679   -5.40286120
 H                  2.98167799    0.13126391   -3.84531484
 C                  0.49112468    1.36871700   -5.30945801
 H                  1.04774272    2.17429136   -4.82220595
 H                  0.90136677    1.19482177   -6.30964450
 H                 -0.55783759    1.66697057   -5.39320358
 C                 -0.24700174   -1.44300027   -5.28853725
 H                 -1.31034003   -1.19739613   -5.35989760
 H                  0.18197639   -1.49823990   -6.29452564
 H                 -0.14262165   -2.41299139   -4.79424534
 C                 -1.01600943    0.25426270   -0.16841180
 C                  0.09991102    0.56422354    0.69430200
 H                  0.43125868    1.59976258    0.61534290
 C                 -2.32413422    0.13888269    0.07337146
 H                 -3.03857251   -0.04629587   -0.72328981
 H                 -2.74007740    0.22064196    1.07604181
 C                 -1.77729101   -1.03060924    3.31640841
 H                 -1.65160677   -1.75164716    2.49551746
 H                 -1.85864736   -1.61156036    4.23953514
 H                 -2.71000007   -0.48691397    3.14687208
 C                 -0.56545999    1.08105300    2.67903862
 H                 -1.49877191    1.54092089    2.36883821
 H                  0.26222395    1.75999441    2.86328772
 C                 -0.57844406   -0.13167212    3.34992983
 C                  0.60257626   -0.62189007    4.06715644
 H                  1.53512857   -0.22041141    3.65495574
 H                  0.65090458   -1.71661646    4.07720829
 Si                 0.63089723   -0.05552924    5.93093108
 C                  0.78169320    1.82261642    5.96409916
 C                  2.15420885   -0.88615021    6.66817085
 C                 -0.94767262   -0.61958374    6.79347756
 H                 -0.09009573    2.30180813    5.50417461
 H                  0.85439060    2.18089144    6.99800449
 H                  1.67690987    2.16092651    5.42896294
 H                  2.27643374   -0.60434269    7.72090880
 H                  2.07100372   -1.97809127    6.61861786
 H                  3.06296977   -0.58947403    6.13165182
 H                 -1.08502241   -1.70450683    6.71566407
 H                 -0.90514813   -0.36504051    7.85952487
 H                 -1.83370586   -0.13238388    6.37030640
 H                  0.90198828   -0.12812465    0.84338606

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

Au
SDD



