%nprocshared=24
%mem=41GB
#p opt=(calcfc,ts,noeigentest,maxstep=10) freq b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=maxcyc=512

Direct TS

0 1
 P                  0.20098439    0.11295059   -3.25443689
 Au                -0.24052759   -0.11229619   -0.96765279
 C                 -1.27463956   -0.09161584   -4.32940668
 H                 -2.02731034    0.65415598   -4.05820814
 H                 -1.00050197    0.03395710   -5.38206886
 H                 -1.69902968   -1.08860945   -4.18019285
 C                  1.41961599   -1.09667280   -3.90622827
 H                  1.04482054   -2.11220264   -3.75039245
 H                  1.58773341   -0.93051319   -4.97542937
 H                  2.36470826   -0.98493728   -3.36740924
 C                  0.88532266    1.75239904   -3.71955378
 H                  1.82231012    1.92078026   -3.18122670
 H                  1.07075935    1.79592515   -4.79784308
 H                  0.17529011    2.53584942   -3.44025312
 C                 -0.58491519   -0.22038030    1.09927242
 C                  0.24408937   -1.02083802    1.91731381
 H                  0.80981104   -1.83747365    1.48438445
 C                 -1.40086192    0.78043278    1.78248336
 H                 -2.01577529    1.46142064    1.20896198
 N                 -0.85083631   -0.15196826    3.91746574
 C                 -1.02934481   -0.21683584    5.36301964
 H                 -0.18560700    0.26218334    5.86682106
 H                 -1.95973652    0.28460586    5.63914175
 H                 -1.09208404   -1.26495325    5.67953506
 C                  0.38200062   -0.73716642    3.38351225
 H                  0.60130160   -1.64943315    3.94831118
 C                  1.64378118    0.21780611    3.46800297
 O                  1.72036369    0.98222993    4.44562090
 O                  2.42775410    0.05189730    2.49419916
 C                 -1.54174036    0.71893421    3.14320017
 H                 -2.26767017    1.33757059    3.66448412
 H                 -0.93104175   -0.96680258    2.75199176

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

Au 0
SDD





