%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                  0.71729939   -0.00367397   -3.61955042
 Au                -0.28234606   -0.05804899   -1.49724158
 C                  2.46175055   -0.57836648   -3.62921540
 H                  2.50600666   -1.61075741   -3.27096512
 H                  2.87386427   -0.52629452   -4.64237020
 H                  3.05641298    0.05077010   -2.96080209
 C                  0.78007629    1.67136117   -4.37174446
 H                  1.33790314    2.34435003   -3.71450791
 H                  1.26894733    1.63027863   -5.35065033
 H                 -0.23671442    2.05711699   -4.48850959
 C                 -0.11622025   -1.04642647   -4.88035860
 H                 -1.15142725   -0.71544004   -5.00240583
 H                  0.40604255   -0.97246512   -5.83998160
 H                 -0.11761469   -2.08801158   -4.54689767
 C                 -1.16258928   -0.14251576    0.41002316
 C                 -0.59446368    0.92796863    1.22812682
 H                 -0.83492159    1.91969180    0.83929076
 C                 -2.06687286   -1.06658278    0.74353175
 H                 -2.40649413   -1.82246459    0.04128069
 H                 -2.51893794   -1.10682528    1.73555025
 C                 -1.67475395    1.29467750    2.85454273
 H                 -2.65411936    1.35021843    2.38709668
 H                 -1.21088507    2.25557406    3.05915649
 C                 -1.45579733    0.24849402    3.75157059
 C                 -0.33057824    0.09440842    4.61955012
 C                 -0.08252495   -1.18616384    5.17730432
 C                  0.58966219    1.14178310    4.87687537
 C                  1.06579982   -1.42168457    5.91958938
 H                 -0.78761196   -1.99098088    4.98961043
 C                  1.73302403    0.90037669    5.62187035
 H                  0.40339588    2.13626133    4.49009082
 C                  1.97876461   -0.38106158    6.13412020
 H                  1.25866055   -2.40869332    6.32746552
 H                  2.43994969    1.70297361    5.80409123
 H                  2.87980177   -0.56581884    6.71155648
 H                 -2.14049616   -0.59592004    3.71852434
 H                  0.42242422    0.85980772    1.55399963

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

Au
SDD



