%nprocshared=8
%mem=22GB
#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                 -0.09356994   -0.54982542   -3.84490118
 Au                -0.06286332    0.35255252   -1.67145865
 C                 -1.76269394   -0.61742959   -4.60912047
 H                 -2.17103991    0.39467781   -4.68076134
 H                 -1.70682557   -1.05996956   -5.60907292
 H                 -2.42585145   -1.21975683   -3.98174706
 C                  0.52443536   -2.27722040   -3.94893533
 H                 -0.09685999   -2.92494166   -3.32371979
 H                  0.49159652   -2.63128452   -4.98459621
 H                  1.55449017   -2.31910340   -3.58329788
 C                  0.92919477    0.37075250   -5.06249597
 H                  1.97000088    0.38565919   -4.72656648
 H                  0.87199631   -0.10533210   -6.04691977
 H                  0.56948259    1.40108993   -5.13570576
 C                 -0.03458560    1.15636800    0.24972775
 C                  0.06991499    0.14793757    1.32739476
 H                  0.59225501   -0.75521254    1.01424091
 C                 -0.11650709    2.48208300    0.47531861
 H                 -0.25654093    3.18984814   -0.33733433
 H                 -0.06169055    2.92573153    1.46994501
 C                 -1.08159737   -0.17270006    2.20847613
 C                 -2.10870464    0.74925702    2.47479251
 C                 -1.12957307   -1.43807933    2.82492579
 C                 -3.15132392    0.41406753    3.33794429
 H                 -2.09890608    1.71895721    1.99040300
 C                 -2.17084694   -1.77091930    3.68652703
 H                 -0.34342001   -2.16208442    2.62358878
 C                 -3.18503976   -0.84274547    3.94687502
 H                 -3.94025026    1.13477740    3.53211540
 H                 -2.19556216   -2.75187881    4.15194076
 H                 -4.00003741   -1.10162017    4.61665767
 N                  1.17204761    0.23012414    3.92362862
 C                 -0.00194258    0.74369376    4.62937103
 H                 -0.89667356    0.45783653    4.06892730
 H                 -0.03424359    0.30930992    5.62862426
 H                  0.07431509    1.83006388    4.69608496
 C                  1.55254680    0.64382039    2.61262897
 H                  1.58974254    1.71352537    2.44219956
 C                  2.74694016   -0.13959829    2.30919451
 O                  3.52033235   -0.18867434    1.40429344
 O                  2.85303504   -1.09536574    3.43536384
 C                  1.90414207   -0.78649999    4.28838775
 H                  1.78634606   -1.34983292    5.20501210

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

Au 0
SDD



