%nprocshared=24
%mem=41GB
%chk=TS2SM9.chk
#p opt=(modredundant,loose) b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=maxcyc=512

Loose preopt

1 1
 P                  0.79300738   -0.47112806   -4.43621651
 Au                 0.00597052    0.21118850   -2.32646471
 C                 -0.52648960   -1.10803028   -5.54477887
 H                 -1.27693600   -0.32817582   -5.70203016
 H                 -0.10384412   -1.40654088   -6.50980042
 H                 -1.00987285   -1.97073938   -5.07736398
 C                  2.03639650   -1.82197474   -4.38144542
 H                  1.59669685   -2.70107423   -3.90170894
 H                  2.36113730   -2.08462805   -5.39375954
 H                  2.90111594   -1.49756854   -3.79560107
 C                  1.60146497    0.86150748   -5.40864831
 H                  2.46798691    1.23893620   -4.85831299
 H                  1.92623097    0.48187809   -6.38319106
 H                  0.89460481    1.68303489   -5.55655683
 C                 -0.65325217    0.85895466   -0.45378102
 C                 -0.73527476   -0.15659159    0.60546979
 H                 -0.22338365   -1.08974596    0.38523249
 C                 -0.92682276    2.14929192   -0.21624362
 H                 -0.92903048    2.90915321   -0.99538765
 H                 -1.11118958    2.47325396    0.81323481
 C                 -1.96488878   -0.36546037    1.40446034
 C                 -3.06287738    0.51337373    1.34924571
 C                 -2.05315259   -1.50930518    2.22624417
 C                 -4.19577828    0.27706370    2.12818055
 H                 -3.03831896    1.35929509    0.67196548
 C                 -3.18286307   -1.74108314    3.00248926
 H                 -1.22399832   -2.21141980    2.25512775
 C                 -4.25671529   -0.84240411    2.96131756
 H                 -5.03711111    0.96150820    2.07240696
 H                 -3.23135669   -2.62231407    3.63507292
 H                 -5.14158664   -1.02500161    3.56403443
 C                 -0.02907922    2.38893551    2.78905188
 H                 -1.13478405    2.35419209    2.71284847
 H                  0.22690326    2.98650750    3.67327125
 H                  0.35332112    2.86171522    1.87522685
 C                  0.89141141    0.19625324    1.83211944
 H                  1.53055192    0.63557848    1.05521760
 H                  1.13801778   -0.85590725    2.03082943
 C                  0.42148405    0.96221544    2.92804318
 C                  0.21912413    0.33123507    4.25932092
 H                 -0.43716065   -0.55827739    4.16034236
 H                 -0.21775985    1.01342001    5.00406079
 Si                 1.93362656   -0.30391786    4.90790569
 C                  2.39243296   -1.94712749    4.07706177
 C                  1.77707752   -0.56142795    6.77448844
 C                  3.24800759    1.00290812    4.54527738
 H                  2.94101529   -1.79099353    3.14000346
 H                  3.02856816   -2.55713729    4.73072422
 H                  1.50057348   -2.54011752    3.83982237
 H                  2.71849659   -0.93449411    7.19760953
 H                  1.52787267    0.37420009    7.29050596
 H                  0.99437505   -1.29128087    7.01802874
 H                  2.93794128    1.98904150    4.91263955
 H                  4.20341244    0.75293448    5.02400527
 H                  3.42872638    1.09864292    3.46754342

16 36 F

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

Au 0
SDD

--link1--
%nprocshared=24
%mem=41GB
%chk=TS2SM9.chk
#p opt=(modredundant,calcfc,ts,noeigentest,maxstep=10) freq b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm guess=read empiricaldispersion=gd3 geom=checkpoint scf=maxcyc=512

Opt freq

1 1

16 36 A

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

Au 0
SDD



