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

Direct TS

1 1
 P                  0.23044237   -0.07990301   -2.93571824
 Au                -0.42685085    0.09027237   -0.68013632
 C                 -0.95037958   -0.99856515   -4.00027901
 H                 -1.92075862   -0.49416238   -3.98964843
 H                 -0.57691768   -1.04672805   -5.02826284
 H                 -1.07730996   -2.01288059   -3.61144988
 C                  1.83548655   -0.94177335   -3.16500056
 H                  1.76360536   -1.95710185   -2.76507396
 H                  2.09557509   -0.98545474   -4.22773716
 H                  2.61716786   -0.40495616   -2.62017110
 C                  0.44873366    1.54223856   -3.76723051
 H                  1.20775087    2.12287363   -3.23512392
 H                  0.76159627    1.39988266   -4.80669774
 H                 -0.49557325    2.09359286   -3.74396069
 C                 -0.99578101    0.24577649    1.29454000
 C                 -1.30034331   -0.99608388    2.08264860
 H                 -1.31032523   -1.86292187    1.41414477
 C                 -0.85197214    1.45455259    1.99315207
 H                 -0.54825626    2.34574723    1.44874582
 H                 -1.39734328    1.66279034    2.91417712
 C                  0.78562871    0.84075455    3.06099213
 C                  1.62014741    0.09436060    2.05200121
 N                  0.26782675   -0.11995999    3.85502392
 H                  1.10145506    1.79807228    3.45769498
 O                  1.17055158   -1.19918935    2.09987909
 O                  2.50748693    0.47793035    1.34139569
 C                 -0.48011444    0.11625456    5.08486907
 H                 -0.61607711   -0.83661513    5.59678027
 H                  0.09746118    0.79409118    5.71528358
 H                 -1.46416563    0.54977709    4.87619329
 C                  0.03830208   -1.23437795    2.97579249
 H                  0.00586821   -2.19015126    3.49195797
 H                 -2.17651419   -1.03785793    2.69541244

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

Au
SDD



