%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

0 1
 P                  0.26918871   -0.48605693   -2.62283695
 Au                -0.20827507   -0.64872255   -0.32186709
 C                 -0.77846295    0.74659679   -3.49704429
 H                 -0.58570594    1.72407151   -3.04497661
 H                 -0.52553311    0.77702345   -4.56254256
 H                 -1.83579532    0.49193549   -3.38050229
 C                  0.12009611   -2.01820516   -3.63130628
 H                 -0.90438215   -2.39768126   -3.57135502
 H                  0.37102621   -1.81594268   -4.67818013
 H                  0.79813135   -2.78147853   -3.23780758
 C                  1.97321048    0.12160273   -2.94539842
 H                  2.70319165   -0.56798002   -2.51145533
 H                  2.15299350    0.21408497   -4.02217960
 H                  2.06799836    1.10078174   -2.46592983
 C                 -0.55799106   -0.54130380    1.72815866
 C                 -0.99104181   -1.72296118    2.60520176
 H                 -0.97966496   -2.67762406    2.08060192
 C                 -0.83835194    0.84809198    2.30394996
 H                 -0.02982038    1.69135616    1.56178701
 H                 -1.80163382    1.32906337    2.14208486
 N                  0.51758941   -0.14130782    3.84289024
 C                  1.39883646   -0.31824360    4.98269007
 H                  2.41870650   -0.51791954    4.63652668
 H                  1.40012607    0.59022917    5.58806889
 H                  1.06239438   -1.16131369    5.59539907
 C                  0.38869214   -1.14167027    2.79441934
 H                  1.29631241   -1.70279932    2.59567793
 C                 -0.26434168    0.89991968    3.58889973
 H                 -0.35886374    1.69314226    4.32386711
 C                  0.18603148    2.69655842   -0.35246196
 O                  0.81981116    2.91431391   -1.39239094
 O                  0.74465657    2.26075832    0.74483789
 C                 -1.32468211    2.91787052   -0.31620974
 H                 -1.63586029    3.52000116   -1.17200000
 H                 -1.82882287    1.94473463   -0.36873868
 H                 -1.63497796    3.40187976    0.61473096
 H                 -1.74475821   -1.65658875    3.36177713

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

Au
SDD



