%nprocshared=24
%mem=41GB
#p opt=(calcfc,ts,noeigentest,maxstep=5) freq b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=maxcyc=512

Direct TS smaller step

1 1
 P                  0.18497741   -0.37928146   -2.96628800
 Au                 0.63383366    0.31093040   -0.79282073
 C                 -1.35964331    0.32884857   -3.65838670
 H                 -1.28377477    1.41943477   -3.68293926
 H                 -1.52431280   -0.04859765   -4.67286038
 H                 -2.20490633    0.04832079   -3.02365637
 C                 -0.02029443   -2.19598945   -3.11864720
 H                 -0.84478596   -2.52416480   -2.47963017
 H                 -0.23382983   -2.46546948   -4.15811355
 H                  0.89678317   -2.69477391   -2.79311930
 C                  1.49357205    0.05150099   -4.17793543
 H                  2.43429944   -0.41873396   -3.87835131
 H                  1.21165902   -0.30018882   -5.17577914
 H                  1.63198256    1.13604251   -4.19908840
 C                  0.87003170    0.98794060    1.23915636
 C                 -0.24027574    0.76861182    2.26162470
 C                  1.56720638    2.15550683    1.24968478
 H                  2.44050336    2.31086567    0.62083882
 H                  1.27037479    3.00652568    1.86930085
 N                  1.61860856   -0.48520277    3.15945462
 C                  2.28535594    0.50299307    3.98627264
 H                  1.90698410    0.41797597    5.00573662
 H                  3.35870966    0.30583016    3.97757103
 H                  2.10575416    1.52296186    3.60974813
 C                  0.14829896   -0.54025956    3.05012023
 H                 -0.36687410   -0.68044324    3.99734738
 C                  0.00480397   -1.70802596    2.08851077
 O                 -0.91262302   -2.43235300    1.83893287
 O                  1.20834856   -1.75014193    1.38043125
 C                  1.98125908   -0.72724773    1.88353964
 H                  2.99891412   -0.66472298    1.52469513
 H                 -0.30039018    1.58508219    2.99050977
 C                 -1.62660901    0.60264682    1.61190502
 C                 -2.02091743    1.45690485    0.58174217
 C                 -2.48801135   -0.40173568    2.05320985
 C                 -3.27662895    1.30717060   -0.00646695
 H                 -1.34187690    2.24913032    0.23457569
 C                 -3.74375128   -0.55227621    1.46425768
 H                 -2.17732497   -1.07522525    2.86500711
 C                 -4.13822007    0.30204125    0.43465918
 H                 -3.58774426    1.98086715   -0.81803133
 H                 -4.42255603   -1.34453873    1.81213472
 H                 -5.12823184    0.18413630   -0.02931437

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

Au
SDD



