%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                  0.37046974   -0.22830665   -3.41579550
 Au                -0.26262924    0.08911861   -1.18454344
 C                  0.67237437    1.33547198   -4.32645777
 H                  1.47114943    1.89584765   -3.83283071
 H                  0.96224065    1.12107310   -5.36039923
 H                 -0.23807301    1.94127497   -4.32142382
 C                 -0.87726886   -1.12776031   -4.41625498
 H                 -1.81364223   -0.56293644   -4.42282369
 H                 -0.51969336   -1.25175734   -5.44351939
 H                 -1.06087175   -2.11029046   -3.97252337
 C                  1.91921324   -1.19502345   -3.60035239
 H                  1.78466220   -2.18459964   -3.15515097
 H                  2.17543594   -1.30275581   -4.65943168
 H                  2.73175638   -0.68165401   -3.07875708
 C                 -0.92457308    0.43641594    0.81234832
 C                  0.09292971   -0.23560423    1.52114626
 H                  1.07463773    0.23562405    1.53542295
 C                 -2.03871291    1.09876285    1.11521381
 H                 -2.70058860    1.50072949    0.35479303
 H                 -2.32511020    1.27768999    2.15234046
 N                 -0.52390075   -0.40710008    4.65571979
 C                 -1.94565295   -0.69349512    4.83924589
 H                 -2.40264705   -0.86677321    3.86373021
 H                 -2.05271872   -1.58364435    5.45983731
 H                 -2.42022692    0.16007874    5.32709856
 C                 -0.01193278    0.63669110    3.87644674
 H                 -0.62070673    1.48284363    3.60732113
 C                  1.39494919    0.60908579    3.99586435
 O                  2.33883093    1.22464353    3.55258939
 O                  1.64181518   -0.60753272    4.81549896
 C                  0.47178474   -1.11295686    5.13790898
 H                  0.38548739   -2.00370722    5.74275030
 H                  0.06304539   -1.27952585    1.75402945

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

Au
SDD



