%nprocshared=20
%mem=41GB
%chk=Me-TS1-3-6endo.chk
#p opt=(maxstep=17,modredundant) B3LYP genecp SCRF=(PCM,Solvent=Dichloromethane) EmpiricalDispersion=GD3  nosymm scf(xqc,maxcyc=512)

opt freq

1 1
 C                  2.78519656   -1.67920003    0.36509426
 C                  1.47879181   -1.45870063   -0.12799069
 C                  0.70482536   -2.55009399   -0.56241936
 C                  2.49724725   -4.06706524   -0.01219844
 H                 -0.29508570   -2.37315204   -0.94809943
 H                  2.89875112   -5.07490645    0.03874042
 C                  0.93782610   -0.09899258   -0.16654668
 C                  1.44016830    1.08077306   -0.21391363
 C                  3.63926344   -0.51509393    0.80882884
 H                  3.23430458   -0.09092800    1.73618479
 H                  4.64783090   -0.87575984    1.04572602
 C                  3.73084903    0.54931533   -0.26493635
 H                  3.67053406    0.18069352   -1.28856085
 C                  4.16603911    1.83017009   -0.09109935
 C                  4.41633926    2.45416517    1.24911923
 H                  3.80300881    3.35815827    1.36104814
 H                  5.46282657    2.78032104    1.31365525
 H                  4.21178168    1.78808635    2.08872768
 C                  4.40777374    2.71939633   -1.27556169
 H                  5.46492619    3.01584362   -1.30793089
 H                  3.82771577    3.64706502   -1.18669959
 H                  4.15237840    2.23364254   -2.22110999
 P                 -3.52663414    0.26507789    0.12207559
 C                 -4.12754970    1.06548502    1.65799136
 H                 -5.22232361    1.06836874    1.67411820
 H                 -3.75857899    2.09396022    1.70031466
 H                 -3.75080399    0.51814235    2.52622101
 C                 -4.32320843    1.18645670   -1.24838833
 H                 -5.40972222    1.19354790   -1.11252003
 H                 -4.07682193    0.70876578   -2.20061469
 H                 -3.95067549    2.21441765   -1.26133986
 C                 -4.29563890   -1.39868785    0.10315409
 H                 -3.91480570   -1.98578266    0.94333239
 H                 -4.03790298   -1.90731953   -0.82985441
 H                 -5.38405191   -1.31066058    0.18241849
 Au                -1.21426284    0.18340105   -0.03840402
 C                  1.21146107   -3.84607414   -0.51078983
 H                  0.60452019   -4.67779529   -0.85543496
 C                  3.27256940   -2.98768382    0.41612285
 H                  4.27636133   -3.16132133    0.79502781
 C                  1.20900061    2.60321599   -0.19577419
 H                  0.56676688    2.87614319   -1.00691325
 H                  0.75256705    2.88365474    0.73046687
 H                  2.14705152    3.10765085   -0.29827284

8 12 F
8 14 F

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

Au 0
SDD


--link1--
%nproc=20
%Mem=41GB
%Chk=Me-TS1-3-6endo
#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

8 12 A
8 14 A

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

Au 0
SDD






