%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                  0.36087276   -0.09200625   -2.89795484
 Au                -0.52438844    0.09449048   -0.72965826
 C                  0.65592063   -1.82502936   -3.43199588
 H                 -0.28887494   -2.37607499   -3.41662675
 H                  1.07421586   -1.84843700   -4.44367068
 H                  1.35293433   -2.30449596   -2.73866417
 C                  1.98952900    0.73409538   -3.09867759
 H                  2.70493462    0.30071260   -2.39400092
 H                  2.36096639    0.60731091   -4.12080457
 H                  1.88561987    1.80063898   -2.87918466
 C                 -0.68395770    0.62475648   -4.22804349
 H                 -0.84468722    1.68870243   -4.03217972
 H                 -0.19799573    0.50326408   -5.20174528
 H                 -1.65416817    0.12009664   -4.24074150
 C                 -1.23029450    0.24742591    1.21961550
 C                 -1.40521141   -1.01150951    1.98039617
 H                 -1.13532611   -1.90144067    1.41640696
 C                 -1.35328018    1.44450898    1.84437096
 H                 -1.24200096    2.37802623    1.29922030
 H                 -1.58143056    1.55842705    2.90447987
 C                  1.23620125    0.69928182    3.45756284
 C                  1.80648942    0.17710050    2.22284008
 N                  0.30759343   -0.13612623    3.84773359
 H                  1.54530341    1.56185585    4.02754048
 N                  0.11571996   -1.17444076    2.99052926
 O                  1.12334110   -1.02513894    2.03655611
 O                  2.67251951    0.56268624    1.48281325
 C                 -0.51009478   -0.07468946    5.06894100
 H                 -0.50843793   -1.06429720    5.52384108
 H                 -0.06286015    0.66253503    5.73330345
 H                 -1.52890636    0.21043000    4.80496054
 H                 -2.22757950   -1.20396210    2.63733812

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

Au
SDD



