%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                 -0.19863843   -1.76776038   -3.76557673
 Au                 0.09577174   -0.69248721   -1.70602573
 C                 -0.80234730   -3.49532957   -3.61284990
 H                 -1.77168215   -3.49770404   -3.10639693
 H                 -0.90630057   -3.95193650   -4.60261144
 H                 -0.09360260   -4.07693317   -3.01670804
 C                  1.33308274   -1.89342261   -4.77019365
 H                  2.09311984   -2.44446447   -4.20904772
 H                  1.12784694   -2.41188125   -5.71252589
 H                  1.71174167   -0.88945400   -4.98221907
 C                 -1.41295938   -0.94452250   -4.86950930
 H                 -1.08567634    0.07927474   -5.07156633
 H                 -1.50134922   -1.49136810   -5.81409038
 H                 -2.38809096   -0.91085116   -4.37545758
 C                  0.33913635    0.33099171    0.12958893
 C                  0.56172219   -0.68777481    1.12868832
 H                  1.56845683   -1.10507944    1.10205856
 C                  0.32551567    1.66412846    0.20390599
 H                  0.43933478    2.19562431    1.14709129
 C                 -0.88263529    1.62204619    3.47844990
 H                 -1.61129911    1.44970513    2.67290552
 H                 -1.45547264    1.86355995    4.37834684
 H                 -0.26828978    2.48134589    3.19831257
 C                  1.12869992    0.18075908    3.01897821
 H                  1.65950789    1.02936896    2.59840945
 H                  1.74145436   -0.66683616    3.31237925
 C                 -0.07932670    0.37143751    3.67111258
 C                 -0.65956768   -0.66851994    4.52630001
 H                 -0.33160843   -1.67368683    4.23849697
 H                 -1.75474583   -0.63086389    4.53171888
 Si                -0.09698551   -0.50513100    6.38426339
 C                  1.76382297   -0.79452688    6.45435254
 C                 -1.04313605   -1.85492635    7.29902217
 C                 -0.53692763    1.20824578    7.03604374
 H                  2.30911811   -0.02712630    5.89317448
 H                  2.11545196   -0.76364179    7.49262481
 H                  2.03168974   -1.77340730    6.03928884
 H                 -0.77158230   -1.86477112    8.36145958
 H                 -2.12534557   -1.69490707    7.22880642
 H                 -0.81782787   -2.84417511    6.88388490
 H                 -1.60794522    1.41771380    6.93105568
 H                 -0.28637747    1.28100217    8.10140217
 H                  0.01745805    1.99375191    6.50961325
 H                 -0.19070466   -1.40902132    1.37067449
 C                  0.14216844    2.54391398   -1.04667837
 C                 -1.13749877    2.93039345   -1.44612406
 C                  1.25538691    2.95448607   -1.77997459
 C                 -1.30386406    3.72670632   -2.57900983
 H                 -2.01498971    2.60590272   -0.86823375
 C                  1.08921298    3.75186123   -2.91266562
 H                  2.26404908    2.65011903   -1.46518840
 C                 -0.19015044    4.13789363   -3.31234706
 H                 -2.31252511    4.03085304   -2.89427822
 H                  1.96715042    4.07576885   -3.49040599
 H                 -0.32156684    4.76580352   -4.20551851

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

Au
SDD



