%nprocshared=24
%mem=41GB
#p opt=(calcfc,ts,noeigentest,maxstep=5) freq b3lyp genecp empiricaldispersion=gd3 scrf=(pcm,solvent=dichloromethane) nosymm scf=maxcyc=512

Direct TS smaller step

1 1
 P                  0.11374461    0.05584772   -3.32031902
 Au                -0.14565460   -0.05379126   -0.96822614
 C                 -0.33355507    1.68872528   -4.02461775
 H                  0.29903277    2.46200588   -3.57987463
 H                 -0.19302640    1.68392448   -5.11017836
 H                 -1.37905700    1.91117715   -3.79343759
 C                 -0.91962633   -1.16520557   -4.21848837
 H                 -1.97406709   -0.99141902   -3.98706297
 H                 -0.76317957   -1.06787695   -5.29752353
 H                 -0.64925885   -2.17600707   -3.90064180
 C                  1.83433352   -0.25865319   -3.87178656
 H                  2.14776843   -1.25265481   -3.54112417
 H                  1.89634808   -0.20049429   -4.96312552
 H                  2.50042207    0.48730321   -3.42934935
 C                 -0.32302295   -0.12006108    1.04086459
 C                  0.24107621   -1.18571901    1.87661927
 H                  1.25868181   -1.43594771    1.54872104
 C                 -0.97776303    0.95732177    1.81989635
 H                 -0.11388160    1.64145230    2.00044812
 H                 -1.71059020    1.53585258    1.25616313
 N                 -0.93884322   -0.25960011    3.78397630
 C                 -1.38901766   -0.44831193    5.17631535
 H                 -0.61614399   -0.01912133    5.81915368
 H                 -2.32916628    0.08457992    5.30034077
 H                 -1.50167798   -1.51497937    5.37323776
 C                  0.22186728   -0.89502558    3.36557439
 H                  0.48261924   -1.73125836    4.00656799
 C                  1.65991583    0.35661698    3.66477138
 O                  2.64924538   -0.19037380    3.22924718
 O                  1.23252099    1.36880248    4.17695512
 H                 -0.35347805   -2.08482792    1.60979446
 C                 -1.55540025    0.63501805    3.12251907
 H                 -2.43587509    1.08162220    3.53508276

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

Au
SDD



