%nprocshared=20
%mem=41GB
%chk=ts2-3
#p opt=(modredundant,maxstep=3) bp86 genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

preopt Not loose

1 1
 C                  0.45550500   -0.79808000    2.22164200
 H                  1.50629800   -1.13387500    2.18102800
 H                 -0.19060300   -1.65032500    1.93889900
 C                  0.27218300    0.42492100    1.40973700
 C                  0.26280000    1.65609300    1.95257600
 C                  0.08183800    1.90616300    3.52266300
 H                  0.61119600    2.83599400    3.77897200
 H                 -0.99420300    2.00193400    3.74210600
 C                  0.71759800    0.71254400    4.04250400
 H                  1.78851200    0.75378200    4.28463800
 C                  0.10302800   -0.58248800    3.88106900
 Au                 0.09008500    0.16123500   -0.63005600
 P                 -0.09559500   -0.15875200   -2.93630000
 C                 -1.50466300    0.73789100   -3.71208200
 C                  1.38453600    0.39343800   -3.88263200
 C                 -0.33736500   -1.91722400   -3.42618400
 H                 -1.26138200   -2.30069000   -2.96364000
 H                 -0.41292400   -1.99693600   -4.52424600
 H                  0.51592200   -2.51709200   -3.07018700
 H                 -2.44843300    0.40294300   -3.25187600
 H                 -1.53029200    0.53645300   -4.79689400
 H                 -1.38723200    1.82006100   -3.53966400
 H                  1.55069800    1.46810400   -3.70295500
 H                  1.23235300    0.21788200   -4.96148800
 H                  2.26896400   -0.16677100   -3.53805000
 C                 -1.43508600   -0.63392300    3.99605800
 H                 -1.78297400   -1.66065300    3.79498500
 H                 -1.74752200   -0.35955800    5.01802100
 H                 -1.93177100    0.03766100    3.27731700
 C                  0.78770600   -1.73928400    4.62694300
 H                  0.47874800   -1.73408900    5.68617200
 H                  0.48550900   -2.70586400    4.18999500
 H                  1.88755600   -1.66322000    4.58161000
 C                  0.41593844    2.96783754    1.16044288
 C                 -0.71469901    3.70316003    0.80346776
 C                  1.68493452    3.42087459    0.79995084
 C                 -0.57631901    4.89089178    0.08557779
 H                 -1.71505818    3.34532781    1.08715669
 C                  1.82358996    4.60945747    0.08269546
 H                  2.57617115    2.84154186    1.08137559
 C                  0.69323992    5.34441158   -0.27463945
 H                 -1.46749199    5.47021114   -0.19637310
 H                  2.82428924    4.96662356   -0.20104311
 H                  0.80210289    6.28095451   -0.84061872

1 9 F
1 11 F

C H P 0
6-31G*
****
Au 0
SDD
****

Au 0
SDD


--link1--
%nprocshared=20
%mem=41GB
%chk=ts2-3
#p opt=(calcfc,ts,noeigentest,modredundant,maxstep=4) freq=noraman bp86 genecp guess=read geom=checkpoint scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

ts opt freq

1 1

1 9 A
1 11 A

C H P 0
6-31G*
****
Au 0
SDD
****

Au 0
SDD












