%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                  0.11474119   -0.08368770   -3.19609573
 Au                -0.25081823    0.06296905   -0.86937818
 C                 -0.13826008   -1.76687734   -3.88427329
 H                 -1.16604982   -2.08703542   -3.69071541
 H                  0.04669393   -1.77086162   -4.96329523
 H                  0.54589642   -2.46675697   -3.39596672
 C                  1.81914290    0.37960961   -3.69919085
 H                  2.53667329   -0.29174647   -3.21890797
 H                  1.92685591    0.31011139   -4.78635699
 H                  2.02686782    1.40442303   -3.37858968
 C                 -0.97540330    1.00198939   -4.19763800
 H                 -0.82521279    2.04361930   -3.89995408
 H                 -0.74592231    0.89095880   -5.26248922
 H                 -2.02057854    0.73285808   -4.02104266
 C                 -0.63228427    0.19656609    1.14653315
 C                 -0.75163394   -1.03829109    1.99239821
 H                 -0.58625993   -1.94922040    1.41698222
 C                 -0.65128223    1.42274583    1.83197431
 H                 -0.44837514    2.33561909    1.27628224
 H                 -1.35486786    1.56339527    2.65090120
 N                  1.37688270   -0.09959140    2.99472754
 C                  2.29729279   -0.29269947    1.89499165
 H                  1.76101308   -0.23429714    0.93045947
 H                  3.06501772    0.48248120    1.92516937
 H                  2.76137777   -1.27584473    1.98823105
 C                  0.29048915   -1.03109125    3.23496249
 H                  0.62213799   -2.04477508    3.45150825
 C                 -0.37047823   -0.35885560    4.42928633
 O                 -1.10935274   -0.78499074    5.26525277
 O                 -0.00243911    0.98290065    4.36065775
 H                 -1.74913046   -1.10680110    2.44769310
 N                  0.80400631    1.11141672    3.24110891

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

Au
SDD



