%nprocshared=20
%mem=41GB
%chk=ts1-2
#p opt=(modredundant,loose) bp86 genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

preopt

1 1
 Au                 0.34243667   -0.60243753   -0.04063898
 C                  1.02585847    1.38659298   -0.13684476
 C                  0.10357765    2.24875638   -0.43425959
 C                 -0.16265640    4.59435825    0.10217605
 C                  0.75774106    4.28762078   -0.88367111
 C                 -1.33271357    2.58921261   -0.69068983
 H                 -1.98643606    1.79916400   -0.27653956
 H                 -1.51950961    2.63776199   -1.78090240
 C                 -1.55342253    3.97493991   -0.01277038
 P                 -0.30143082   -2.82009008    0.12220861
 C                 -1.69844536   -3.09246692    1.28732341
 C                 -0.86020810   -3.55008282   -1.47069435
 H                  2.09063727    1.56342828    0.04414103
 C                  1.04033538   -3.92984503    0.71259684
 H                  1.37372321   -3.60566129    1.71380752
 H                  0.67408312   -4.97145097    0.76639449
 H                  1.89671800   -3.87756065    0.01788909
 H                 -1.40931905   -2.75274357    2.29703729
 H                 -1.96028044   -4.16574708    1.32129727
 H                 -2.57570355   -2.51138064    0.95330415
 H                 -1.72762612   -2.98428264   -1.85293680
 H                 -1.14713598   -4.60685634   -1.32054482
 H                 -0.04317430   -3.49272457   -2.21063108
 H                  0.45777265    4.01087712   -1.90232739
 H                 -2.24678871    4.61819598   -0.58747455
 H                 -1.98396092    3.84919299    0.99635298
 H                  0.08470095    5.13617863    0.99107707
 C                  2.24614090    4.63974467   -0.70401956
 H                  2.83152818    4.08330687   -1.40587333
 H                  2.38775650    5.68688975   -0.87234127
 H                  2.55328553    4.39369476    0.29097874

3 4 F
3 5 F

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

Au 0
SDD


--link1--
%nprocshared=20
%mem=41GB
%chk=ts1-2
#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

3 4 A
3 5 A

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

Au 0
SDD









