%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                  0.27672443   -0.40620597   -3.31086026
 Au                -0.14818669    0.16182249   -1.08220797
 C                 -1.22768304   -0.38787938   -4.35835878
 H                 -1.66816808    0.61284792   -4.34610455
 H                 -0.97049329   -0.66146921   -5.38687030
 H                 -1.95650896   -1.10053936   -3.96323744
 C                  0.98990165   -2.08310655   -3.51583521
 H                  0.29813732   -2.82683825   -3.11077322
 H                  1.16393431   -2.28450212   -4.57784843
 H                  1.93669076   -2.14597404   -2.97260071
 C                  1.45542878    0.72636418   -4.14127991
 H                  2.41119837    0.71274714   -3.61043142
 H                  1.60865877    0.41021991   -5.17832093
 H                  1.05610389    1.74415404   -4.12554335
 C                 -0.71161330    0.93831069    0.87781701
 C                  0.00760901   -0.07481628    1.46759494
 H                  1.08754577   -0.00389898    1.57926333
 C                 -1.46649212    2.01240322    1.03708192
 H                 -1.86481867    2.57806249    0.20121895
 H                 -1.70638676    2.36849258    2.03918981
 N                  0.66985443    0.65554839    3.97758866
 C                  1.50640207    1.84316150    3.81718959
 H                  2.46390294    1.54971987    3.38096387
 H                  1.00009403    2.55160624    3.16109719
 H                  1.67032294    2.29797047    4.79614709
 C                  0.99332289   -0.44517803    4.78341882
 H                  1.72902407   -0.35997679    5.56586785
 C                 -0.07079115   -1.36402940    4.70756214
 O                 -0.34817116   -2.45456048    5.15643928
 O                 -0.97605705   -0.74305291    3.68688052
 H                 -0.42739450   -1.06596646    1.57616255
 N                 -0.46108926    0.41902088    3.35547587

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

Au
SDD





