%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
 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                 -2.24678871    4.61819598   -0.58747455
 H                 -1.98396092    3.84919299    0.99635298
 C                  2.52413336    1.63542202    0.11782453
 C                  2.97025162    1.95279429    1.40107228
 C                  3.43518746    1.54340954   -0.93434574
 C                  4.32704830    2.17874997    1.63187204
 H                  2.25164227    2.02601451    2.23021713
 C                  4.79255950    1.76843660   -0.70344783
 H                  3.08377152    1.29310582   -1.94577241
 C                  5.23858226    2.08620269    0.57937150
 H                  4.67867703    2.42952701    2.64319030
 H                  5.51070817    1.69541572   -1.53314938
 H                  6.30832686    2.26434550    0.76160197
 H                  0.46525525    4.01778038   -1.87691741
 H                  1.79188900    4.53227829   -0.75884828
 C                  0.19335324    5.37417450    1.38152892
 H                  1.22879865    5.64295036    1.35889391
 H                 -0.40398791    6.26017857    1.43702965
 H                  0.00260622    4.76121467    2.23756386

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


















