%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                 -0.54180261    0.12128668   -3.52926267
 Au                 0.23780989   -0.03445730   -1.32951908
 C                 -1.93367300    1.30225058   -3.71554031
 H                 -1.61133791    2.29757835   -3.39748200
 H                 -2.26008857    1.34045332   -4.75981282
 H                 -2.76725373    0.98267765   -3.08403223
 C                 -1.16649069   -1.46205072   -4.21375793
 H                 -1.99930069   -1.81903867   -3.60133042
 H                 -1.50654484   -1.31777742   -5.24459772
 H                 -0.36804322   -2.20870920   -4.19421954
 C                  0.73016622    0.69184941   -4.72139248
 H                  1.56997590   -0.00858182   -4.72409570
 H                  0.30183220    0.75246803   -5.72710132
 H                  1.09435438    1.67824546   -4.42061930
 C                  1.03094497   -0.02527369    0.65988141
 C                  0.10390884   -0.91088664    1.22203132
 H                  0.27740315   -1.97301494    1.05578259
 C                  2.08641138    0.69390214    1.02720628
 H                  2.63096544    1.32361389    0.33092855
 H                  2.44976138    0.67342847    2.05369700
 H                  1.97841802   -1.14641772    3.48139708
 H                  0.83799036   -2.35098770    3.61200753
 C                  0.26473978   -0.57576295    4.45442060
 C                 -0.90854635   -1.08013051    5.03616204
 C                  0.65331399    0.74629462    4.72622104
 C                 -1.67936712   -0.27149378    5.86902525
 H                 -1.22006097   -2.09843420    4.82117676
 C                 -0.11790553    1.54267628    5.57096971
 H                  1.55425043    1.14805364    4.26980243
 C                 -1.29141173    1.04293900    6.14295078
 H                 -2.58935261   -0.67353873    6.30566302
 H                  0.19771285    2.56202312    5.77560152
 H                 -1.89472203    1.66914618    6.79334355
 N                  0.98566815   -1.35034536    3.52806351
 H                 -0.86812312   -0.64182628    1.57932726

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

Au
SDD



