%nprocshared=20
%mem=41GB
%chk=ts1-3
#p opt=(modredundant,loose) bp86 genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

preopt

1 1
 Au                 0.11114100   -0.50979900    0.05508200
 C                  1.16279900    1.86987300    0.11339400
 C                 -0.07745600    1.60471800    0.18796100
 C                  0.12087000    4.40745500    0.00014800
 C                  1.36624100    4.36553700    0.55453600
 H                  1.51575600    4.09383200    1.60555700
 C                 -1.35432000    2.35943300    0.28516500
 H                 -2.05583800    1.88313500    0.99023700
 H                 -1.84178300    2.34977500   -0.70728200
 C                 -1.04910600    3.83512600    0.74947300
 P                 -0.01525400   -2.81617500   -0.07384500
 C                  0.89703400   -3.52443400   -1.50420600
 C                  0.64801700   -3.68035400    1.40645000
 H                  2.23017400    1.76437700   -0.01868200
 C                 -1.74741200   -3.40416100   -0.25616700
 H                 -2.17986700   -2.98045400   -1.17690700
 H                 -1.76556500   -4.50592900   -0.31074900
 H                 -2.34158000   -3.06679000    0.60835200
 H                  0.50043500   -3.09642600   -2.43880700
 H                  0.77676700   -4.62134800   -1.51719600
 H                  1.96571300   -3.27061400   -1.41700000
 H                  1.70987600   -3.41638700    1.53699200
 H                  0.55083200   -4.77189600    1.27585300
 H                  0.08593400   -3.36170100    2.29900500
 H                  2.24883700    4.70576700    0.00098000
 H                 -1.96852000    4.42281700    0.57739600
 H                 -0.84573000    3.81396200    1.83340400
 C                 -0.12579996    4.88133530   -1.44421740
 C                 -1.41443042    5.22253061   -1.85590745
 C                  0.93903613    4.96955422   -2.34081634
 C                 -1.63819071    5.65119305   -3.16411293
 H                 -2.25383763    5.15213739   -1.14902547
 C                  0.71553560    5.39927131   -3.64917433
 H                  1.95477076    4.70084837   -2.01645646
 C                 -0.57283501    5.73994833   -4.06097205
 H                 -2.65397669    5.91954430   -3.48886355
 H                  1.55537116    5.46912242   -4.35576564
 H                 -0.74949595    6.07801520   -5.09237790

2 4 F
2 5 F

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

Au 0
SDD


--link1--
%nprocshared=20
%mem=41GB
%chk=ts1-3
#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

2 4 A
2 5 A

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

Au 0
SDD




