%nprocshared=24
%mem=41GB
#p opt=(ts,calcfc,noeigentest,maxstep=10) freq b3lyp genecp nosymm empiricaldispersion=gd3 scrf=(pcm,solvent=dichloromethane) scf=maxcyc=512

Direct TS

1 1
 P                 -0.36952946   -0.05038195   -3.73384089
 Au                 0.01143802    0.15810839   -1.41858323
 C                 -2.02533448   -0.69197617   -4.19290501
 H                 -2.80322237   -0.00517764   -3.84438393
 H                 -2.08828300   -0.78597791   -5.28231592
 H                 -2.18965969   -1.67122700   -3.73430848
 C                  0.81529555   -1.21434124   -4.51858966
 H                  0.76221750   -2.18411597   -4.01660633
 H                  0.57461890   -1.33979178   -5.57885603
 H                  1.82944192   -0.81763841   -4.41579125
 C                 -0.19798951    1.51896158   -4.66627883
 H                  0.81519585    1.90680309   -4.53561480
 H                 -0.39237670    1.34751692   -5.72892492
 H                 -0.90908471    2.25250915   -4.27823256
 C                  0.38609471    0.36120406    0.60627007
 C                 -0.07486068   -0.66774007    1.58806690
 H                 -0.28250726   -1.59752692    1.05300398
 C                  1.25874107    1.37251496    1.10872312
 H                  1.70953305    2.04438996    0.38305763
 H                  0.90878622    1.91560366    1.98927395
 C                 -1.30550071   -0.33710789    2.41684448
 C                 -1.93774414    0.90887426    2.36262411
 C                 -1.83667101   -1.35241815    3.22424577
 C                 -3.08616831    1.14029161    3.12566715
 H                 -1.55514843    1.69681772    1.72236528
 C                 -2.97601722   -1.11456395    3.98899058
 H                 -1.34319166   -2.31970583    3.26064488
 C                 -3.60665111    0.13316372    3.93785143
 H                 -3.57460897    2.10920258    3.07691614
 H                 -3.37365070   -1.90280677    4.62113811
 H                 -4.50108440    0.31636339    4.52600264
 C                  2.61303987    0.38223047    2.01730462
 C                  2.17114410    0.71055616    3.41537090
 N                  2.33276705   -0.96875083    1.95252617
 H                  3.56959740    0.73757561    1.65223259
 N                  1.06337115   -1.13486249    2.56715765
 O                  1.14861874   -0.18276491    3.67414195
 O                  2.51420559    1.55330857    4.19650588
 C                  2.56042452   -1.77613851    0.77933622
 H                  1.92873356   -1.42202519   -0.05826118
 H                  3.60821939   -1.68005801    0.49209663
 H                  2.32343407   -2.81568537    1.00815195

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

Au 0
SDD



