%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                 -1.50624331    0.37969754   -3.22300937
 Au                -0.69472392   -0.17584840   -1.10081035
 C                 -2.05624140    2.12580414   -3.34667076
 H                 -1.21683186    2.78863095   -3.11909525
 H                 -2.42415760    2.33586202   -4.35613844
 H                 -2.85507974    2.30645675   -2.62209635
 C                 -2.95488722   -0.61396252   -3.75196759
 H                 -3.77529151   -0.46517998   -3.04423819
 H                 -3.27573890   -0.30730517   -4.75301591
 H                 -2.68621269   -1.67371433   -3.76376138
 C                 -0.26801468    0.17414309   -4.56060320
 H                  0.05761927   -0.86903226   -4.60109064
 H                 -0.70484353    0.45808210   -5.52349162
 H                  0.59968063    0.80686261   -4.35361155
 C                  0.19343896   -0.59962405    0.80141014
 C                 -0.99530048   -0.84463907    1.49896659
 H                 -1.43921208   -1.83183765    1.37964815
 C                  1.50296009   -0.56540701    1.02531722
 H                  1.90931698   -0.78048080    2.01260792
 H                  0.69546030   -2.05908311    3.58234049
 H                 -0.89078877   -2.45652758    3.88970826
 C                 -0.32326250   -0.65428039    4.67680287
 C                 -1.51092838   -0.44546790    5.39461702
 C                  0.74194171    0.24773201    4.83305661
 C                 -1.62892559    0.65026285    6.24735962
 H                 -2.34223274   -1.13362426    5.26981187
 C                  0.61834208    1.33334941    5.69836673
 H                  1.66061801    0.09957794    4.27136368
 C                 -0.56809993    1.54619100    6.40622994
 H                 -2.55750986    0.80309519    6.79025907
 H                  1.45249307    2.02018090    5.81243574
 H                 -0.66421798    2.39816740    7.07258347
 N                 -0.23902987   -1.69425977    3.73382840
 C                  2.51980626   -0.22970316   -0.08144689
 C                  3.03707716   -1.24612027   -0.88506277
 C                  2.92359154    1.09046914   -0.28057171
 C                  3.95843190   -0.94243137   -1.88711079
 H                  2.71912168   -2.28691948   -0.72731897
 C                  3.84447303    1.39454927   -1.28352856
 H                  2.51586682    1.89171133    0.35259536
 C                  4.36202143    0.37836551   -2.08667938
 H                  4.36666929   -1.74361197   -2.52015770
 H                  4.16234480    2.43559213   -1.44056845
 H                  5.08844381    0.61757925   -2.87685889
 H                 -1.62401265   -0.09348710    1.92953798

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

Au
SDD



