%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                 -1.18688736    0.21013766   -2.84345531
 Au                -0.62424483   -0.13065238   -0.59464806
 C                 -2.04225437    1.80803034   -3.14331966
 H                 -1.39591329    2.63128755   -2.82614131
 H                 -2.28087526    1.92058158   -4.20592145
 H                 -2.96506867    1.84073359   -2.55701979
 C                 -2.32656716   -1.06011031   -3.52259432
 H                 -3.25031228   -1.06965419   -2.93693229
 H                 -2.56085610   -0.84219178   -4.56964814
 H                 -1.85610270   -2.04489652   -3.45297026
 C                  0.23964214    0.22026721   -3.99909217
 H                  0.76051752   -0.73980701   -3.94278500
 H                 -0.10247865    0.38894193   -5.02558942
 H                  0.93500342    1.01431687   -3.71254075
 C                 -0.10320994   -0.40470445    1.43068334
 C                 -1.31553648   -0.70178433    2.19587808
 H                 -1.63131657   -1.73571109    2.03821416
 C                  1.17250563   -0.37183824    1.83204706
 H                  1.47306392   -0.48849032    2.87291689
 C                  0.21796152    1.03044734    4.77030320
 H                  0.28240051    1.58269497    3.81893460
 H                  0.13591854    1.76906674    5.57183702
 H                  1.14755095    0.46376475    4.87273968
 C                 -0.95489109   -1.08897754    4.06659323
 H                  0.00041297   -1.59401885    3.94742910
 H                 -1.80020214   -1.74567641    4.25614380
 C                 -0.97996714    0.14994277    4.70885414
 C                 -2.24799635    0.69941167    5.25589965
 H                 -2.41576851    1.71323647    4.86955012
 H                 -3.11548111    0.07538789    5.03777821
 H                 -2.14009183    0.79918039    6.34616240
 H                 -2.14891251   -0.03250413    2.14639654
 C                  2.32617292   -0.16078642    0.83399451
 C                  2.91870871   -1.25917778    0.21036866
 C                  2.77864841    1.12842779    0.55338658
 C                  3.96392836   -1.06835098   -0.69313715
 H                  2.56226919   -2.27549419    0.43239029
 C                  3.82352003    1.31955260   -0.35111576
 H                  2.31163242    1.99425631    1.04467678
 C                  4.41627785    0.22143967   -0.97427157
 H                  4.43143917   -1.93410958   -1.18425037
 H                  4.17979368    2.33618525   -0.57247833
 H                  5.24037128    0.37165673   -1.68673293

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

Au
SDD



