%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                  0.02075947   -0.05933597   -3.48459629
 Au                -0.10101426    0.07229505   -1.14595663
 C                 -1.38790344   -0.95977414   -4.24430744
 H                 -2.32293731   -0.45080390   -3.99428362
 H                 -1.27178134   -0.99724858   -5.33243039
 H                 -1.42488702   -1.97822764   -3.84731169
 C                  1.51277127   -0.91802138   -4.12319115
 H                  1.54113068   -1.93915292   -3.73259362
 H                  1.49096535   -0.94699516   -5.21759534
 H                  2.40979883   -0.38804657   -3.79105011
 C                  0.03640873    1.57677475   -4.31714270
 H                  0.90722975    2.14622147   -3.98005983
 H                  0.08215559    1.45107082   -5.40375596
 H                 -0.86932821    2.12974315   -4.05250715
 C                 -0.27349313    0.24138299    0.93984070
 C                  0.02589458   -1.06112559    1.51289649
 H                  1.04620872   -1.40145833    1.34385697
 C                 -0.66884529    1.35105109    1.57374806
 H                 -0.89326828    2.26540547    1.03309046
 H                 -0.79710494    1.39936886    2.65303988
 C                  0.60908534    0.54546183    4.99013486
 C                 -0.71806900    0.02091524    5.19556297
 N                  1.09667183   -0.03267000    3.90837272
 H                  1.15368412    1.27177709    5.57086438
 N                  0.28817018   -0.94986453    3.37894732
 O                 -0.86635468   -0.89443791    4.11805294
 O                 -1.58965054    0.20163337    6.00553117
 C                  2.39485395    0.21438056    3.26405874
 H                  2.20729907    0.76275571    2.33849661
 H                  3.00329788    0.80590536    3.94535947
 H                  2.86899850   -0.74602649    3.06272856
 H                 -0.69279748   -1.85165132    1.45415301

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

Au
SDD



