%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                  0.21541673    0.10577004   -2.91880912
 Au                -0.42124426   -0.10958174   -0.65854426
 C                  0.69940741    1.81226901   -3.39055887
 H                  1.53762980    2.13761953   -2.76791623
 H                  0.99375080    1.84624693   -4.44461733
 H                 -0.14387104    2.48880284   -3.22601349
 C                 -1.09798176   -0.36100880   -4.11342378
 H                 -1.97377436    0.27557470   -3.95828566
 H                 -0.73803923   -0.24079289   -5.14029090
 H                 -1.38634131   -1.40306158   -3.94904144
 C                  1.66012693   -0.93375143   -3.36713797
 H                  1.41650926   -1.98706408   -3.20165388
 H                  1.92828949   -0.78171909   -4.41753979
 H                  2.50917254   -0.66571786   -2.73200529
 C                 -0.98844275   -0.31031970    1.30615570
 C                 -0.55467405   -1.49224172    2.08705307
 H                 -0.06021505   -2.22840789    1.44556787
 C                 -1.50457661    0.80095865    2.03093460
 H                 -1.72918380    1.71232526    1.48500824
 H                 -2.12472804    0.66795980    2.91613893
 N                  0.27686703    0.19134007    3.78916513
 C                 -0.51324703    0.06268928    5.00784907
 H                 -0.02915888   -0.68189179    5.63961442
 H                 -0.51702213    1.03184258    5.50679793
 H                 -1.53715802   -0.26082817    4.79436561
 C                  0.75147662   -0.86037488    2.96345354
 H                  1.27122603   -1.66619177    3.47324672
 C                  1.61841935   -0.06560744    2.00784666
 O                  2.52543150   -0.38033362    1.29385739
 O                  1.12467346    1.23027967    2.06995850
 N                  0.04276068    1.25250443    3.00158513
 H                 -1.23132266   -1.99644734    2.74494617

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

Au
SDD



