%nprocshared=20
%mem=41GB
%chk=Me-TS1-2-5exo
#p opt=(maxstep=17,modredundant) B3LYP genecp SCRF=(PCM,Solvent=Dichloromethane) EmpiricalDispersion=GD3  nosymm scf(xqc,maxcyc=512)

opt freq

1 1
 C                  2.87431552   -1.41664363   -0.75644616
 C                  1.86459756   -0.97974135    0.13181103
 C                  1.27657462   -1.87726498    1.05038623
 C                  2.64021848   -3.65382698    0.15108740
 H                  0.51521594   -1.51563066    1.73405969
 H                  2.95028583   -4.69446356    0.15761569
 C                  1.44001852    0.37525924    0.07343453
 C                  0.62746047    1.35984754    0.10369190
 C                  3.53138916   -0.38978967   -1.65855964
 H                  2.99126533   -0.36319308   -2.61361318
 H                  4.55124005   -0.71733546   -1.89332399
 C                  3.53515517    1.00792398   -1.06439472
 H                  3.08567880    1.79193275   -1.66890004
 C                  4.16825952    1.37468432    0.08193294
 C                  4.90748015    0.41302273    0.97241867
 H                  5.96158287    0.71281173    1.04041711
 H                  4.50531889    0.45456539    1.99311583
 H                  4.86910577   -0.62228994    0.63078764
 C                  4.20618263    2.81024504    0.53412874
 H                  3.71754520    2.92433983    1.51002311
 H                  5.24859518    3.12954672    0.66536682
 H                  3.71958486    3.48367367   -0.17503864
 P                 -3.49724815   -0.31955177   -0.08295334
 C                 -4.72890671    0.87580332    0.55987291
 H                 -5.73577787    0.45367691    0.47872847
 H                 -4.50905129    1.09834862    1.60751163
 H                 -4.67380511    1.80241022   -0.01803706
 C                 -3.75933202   -1.85723974    0.88124691
 H                 -4.80105245   -2.18223780    0.79204793
 H                 -3.09871456   -2.64172394    0.50189727
 H                 -3.52280144   -1.67252194    1.93264145
 C                 -4.04722316   -0.71325805   -1.78664165
 H                 -3.98133074    0.18493692   -2.40669101
 H                 -3.39871017   -1.48471593   -2.21071106
 H                 -5.08146168   -1.07227325   -1.77164242
 Au                -1.31523296    0.47477248    0.02280021
 C                  1.65706087   -3.21433858    1.04499683
 H                  1.20015818   -3.90899528    1.74253172
 C                  3.24870262   -2.75775558   -0.73428539
 H                  4.03444999   -3.10295133   -1.40030977
 C                  0.78382669    2.89140459    0.14219663
 H                  1.44855279    3.16222089    0.93573160
 H                  1.18337511    3.23267834   -0.78989418
 H                 -0.17180386    3.34344790    0.30750576

7 12 F
7 14 F

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

Au 0
SDD


--link1--
%nproc=20
%Mem=41GB
%Chk=Me-TS1-2-5exo
#p opt=(ts,noeigentest,calcfc,modredundant,maxstep=9) freq=noraman geom=checkpoint guess=read SCRF=(PCM,Solvent=Dichloromethane) B3LYP genecp EmpiricalDispersion=GD3 nosymm scf(xqc,maxcyc=512) gfinput gfprint

opt freq

1 1

7 12 A
7 14 A

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

Au 0
SDD






