%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                 -0.32070464    0.15516813   -2.88941567
 Au                 0.20829145   -0.08520762   -0.61956520
 C                 -1.44435493    1.56880771   -3.22685534
 H                 -0.97390644    2.49595475   -2.88746190
 H                 -1.65861109    1.63977707   -4.29820398
 H                 -2.37918347    1.42804998   -2.67668614
 C                 -1.17913401   -1.30088942   -3.60818210
 H                 -2.10704770   -1.48333623   -3.05855906
 H                 -1.40919880   -1.12563143   -4.66414438
 H                 -0.53787695   -2.18211272   -3.51750100
 C                  1.12277567    0.43343674   -3.98919597
 H                  1.80948516   -0.41413309   -3.90995178
 H                  0.79512241    0.54029536   -5.02862802
 H                  1.64793733    1.34106130   -3.67842793
 C                  0.69269407   -0.26674771    1.42517109
 C                 -0.47240496   -0.78583292    2.14392691
 H                 -0.58544846   -1.85963003    1.97731225
 C                  1.92398382   -0.00048391    1.87534035
 H                  2.72266508    0.29905409    1.20284292
 H                  2.20065815   -0.06395244    2.92737459
 C                  0.61452781    1.18909305    4.77036022
 H                  0.61238289    1.74770337    3.82052762
 H                  0.36668295    1.89649975    5.56590708
 H                  1.62816275    0.80344346    4.91027978
 C                 -0.11866289   -1.10754707    4.02831683
 H                  0.91736085   -1.42694268    3.94760803
 H                 -0.83476567   -1.90986814    4.18709744
 C                 -0.39685998    0.10273406    4.66540190
 C                 -1.76465553    0.40624459    5.16147612
 H                 -2.10184028    1.37323767    4.76589427
 H                 -2.49288989   -0.36635949    4.91193636
 H                 -1.71905383    0.51967998    6.25478438
 H                 -1.41254475   -0.28180129    2.06032492

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

Au
SDD



