%nprocshared=24
%mem=41GB
#p opt=(calcfc,ts,noeigentest,maxstep=4) freq b3lyp genecp empiricaldispersion=gd3 scrf=(pcm,solvent=dichloromethane) nosymm scf=maxcyc=512

Direct TS with smaller step

1 1
 P                  0.15241825    0.02026543   -3.29473687
 Au                -0.16772921   -0.06167371   -0.94875252
 C                 -0.37666139    1.60810711   -4.04281091
 H                  0.19230791    2.42828577   -3.59611946
 H                 -0.20607811    1.59336556   -5.12388813
 H                 -1.44032776    1.76597785   -3.84424484
 C                 -0.76796092   -1.28072747   -4.20255457
 H                 -1.84016115   -1.16301190   -4.02305731
 H                 -0.56729213   -1.20010763   -5.27577663
 H                 -0.45428948   -2.26579174   -3.84637119
 C                  1.90709855   -0.19356869   -3.78202301
 H                  2.27031004   -1.15997367   -3.42177038
 H                  2.00177230   -0.15105558   -4.87167709
 H                  2.50951733    0.60064964   -3.33267644
 C                 -0.37109813   -0.10775188    1.05645720
 C                  0.15727574   -1.18041084    1.90709933
 H                  1.12626170   -1.54343206    1.54614402
 C                 -1.01254456    0.99409642    1.81168591
 H                 -0.16982253    1.71223978    1.93844320
 H                 -1.78608103    1.52511607    1.25451839
 N                 -0.91399685   -0.13986948    3.82553558
 C                 -1.31652941   -0.29635856    5.23356623
 H                 -0.50726209    0.12735814    5.83510550
 H                 -2.24194620    0.25463103    5.38652048
 H                 -1.43506006   -1.35840182    5.45207212
 C                  0.27304931   -0.79499542    3.38046217
 H                  0.48879129   -1.64381657    4.02477712
 C                  1.50345581    0.23053049    3.51025219
 O                  2.37721030   -0.04236039    4.33316118
 O                  1.45601861    1.17632966    2.72108391
 H                 -0.54352178   -2.02475339    1.73920183
 N                 -1.52530688    0.72925246    3.15511203

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

Au
SDD



