%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                  0.19560672    0.06961072   -3.25780630
 Au                -0.23628749   -0.04579373   -0.93949668
 C                 -1.12569397   -0.64813754   -4.31504591
 H                 -2.06596067   -0.12000330   -4.13239403
 H                 -0.85889513   -0.56127339   -5.37351291
 H                 -1.26157899   -1.70314300   -4.06021058
 C                  1.72034987   -0.81496455   -3.77726900
 H                  1.63683279   -1.87177802   -3.50773384
 H                  1.86750251   -0.72628154   -4.85871292
 H                  2.58252096   -0.38900837   -3.25611689
 C                  0.41631261    1.77573183   -3.90412377
 H                  1.25539236    2.25316947   -3.39003668
 H                  0.61239350    1.75641227   -4.98135960
 H                 -0.48899428    2.35812793   -3.71000591
 C                 -0.55182325   -0.14965071    1.08528010
 C                  0.15178026   -1.21564265    1.90053435
 H                  1.02276459   -1.67379923    1.42670490
 C                 -1.38841858    0.68551776    1.77723945
 H                 -1.98991429    1.44145944    1.28276418
 N                 -0.81043571   -0.20563309    3.93298399
 C                 -0.93656750   -0.26196721    5.38822974
 H                 -0.04721133    0.21273606    5.80935961
 H                 -1.83371446    0.27138450    5.70660379
 H                 -0.99486962   -1.30601696    5.70794321
 C                  0.40701787   -0.78059282    3.34301146
 H                  0.69020476   -1.64237244    3.95361154
 C                  1.61001483    0.27170838    3.42926003
 O                  1.42039202    1.28403902    4.13712450
 O                  2.61315006   -0.09178158    2.77523566
 C                 -1.57958155    0.54263373    3.18874096
 H                 -2.38892977    1.06630786    3.69079903
 H                 -0.94056203   -1.31882282    1.25471573

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

Au 0
SDD





