%nprocshared=24
%mem=41GB
#p opt=(calcfc,ts,noeigentest,maxstep=3) freq b3lyp genecp empiricaldispersion=gd3 scrf=(pcm,solvent=dichloromethane) nosymm scf=maxcyc=512

Direct TS smaller step

1 1
 P                  0.22458298   -0.09955242   -2.92814034
 Au                -0.42485572    0.10112513   -0.67377755
 C                  0.01590921   -1.78884430   -3.61553344
 H                 -1.03794376   -2.07564268   -3.55886826
 H                  0.34523702   -1.81824297   -4.65925394
 H                  0.60590246   -2.49774670   -3.02773939
 C                  1.99134158    0.30923620   -3.21536987
 H                  2.62006063   -0.35472350   -2.61541509
 H                  2.24160981    0.19027850   -4.27463979
 H                  2.18069202    1.34185783   -2.90918787
 C                 -0.70423126    0.98827625   -4.07877842
 H                 -0.57130269    2.03246747   -3.78203283
 H                 -0.34415470    0.85266244   -5.10370306
 H                 -1.76878747    0.74170199   -4.03246507
 C                 -0.99194892    0.25516647    1.30157414
 C                 -1.24218207   -0.96820115    2.11155771
 H                 -1.37164268   -1.87912981    1.53148750
 C                 -0.90984527    1.45501400    2.01777531
 H                 -0.63501174    2.37358388    1.50477560
 H                 -1.46369232    1.60576329    2.94729921
 C                  1.62157895    0.14518364    2.03859513
 N                  0.28770528   -0.15395480    3.81663739
 O                  1.18132065   -1.16448421    2.06562938
 O                  2.50935346    0.53082703    1.33306841
 C                 -0.50871203   -0.05411325    5.02913771
 H                 -0.47745127   -1.01839085    5.53643500
 H                 -0.06775671    0.71772336    5.66009375
 H                 -1.54780182    0.21033875    4.79856274
 H                 -2.02921923   -0.88900464    2.86802643
 C                  0.79291961    0.84725976    3.07287861
 H                  1.10740746    1.78351475    3.51681698
 N                  0.06862904   -1.25707638    2.98189636

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

Au
SDD



