%nprocshared=20
%mem=41GB
%chk=Ph-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                  2.06991841   -2.77150414    0.31220017
 C                  0.86123830   -2.25313405   -0.19948653
 C                 -0.10939032   -3.13849564   -0.69974061
 C                  1.30244784   -5.02553892   -0.17436185
 H                 -1.03641990   -2.73863777   -1.10134786
 H                  1.47855510   -6.09726480   -0.15946504
 C                  0.63863942   -0.79961870   -0.18467672
 C                  1.46767977    0.19827602   -0.16189180
 C                  3.11479343   -1.81670579    0.83034411
 H                  2.79256350   -1.40148886    1.79407039
 H                  4.05206201   -2.35444681    1.01671062
 C                  3.37599423   -0.69697218   -0.16315098
 H                  3.32494965   -0.99275468   -1.21188196
 C                  4.16255449    0.39923580    0.11759757
 C                  4.53902010    0.79665755    1.51095410
 H                  4.55318253    1.88631034    1.62157037
 H                  5.56303452    0.44690615    1.70957307
 H                  3.88888863    0.36494134    2.27421532
 C                  4.71686432    1.24745691   -0.98401950
 H                  5.81320870    1.16424001   -0.97510504
 H                  4.49128664    2.30835902   -0.82072852
 H                  4.35648343    0.94508304   -1.97043085
 P                 -3.61437087    0.53248214    0.19085601
 C                 -4.00580487    1.31730760    1.80263077
 H                 -5.06743774    1.58174948    1.84593225
 H                 -3.39998223    2.21962636    1.92441548
 H                 -3.76967459    0.62219263    2.61303223
 C                 -4.18095796    1.73746271   -1.07179482
 H                 -5.23355566    1.98993592   -0.90674634
 H                 -4.06206554    1.30389085   -2.06867264
 H                 -3.57450966    2.64526661   -1.00745826
 C                 -4.77527921   -0.88133876    0.05400811
 H                 -4.54590685   -1.61745642    0.82950224
 H                 -4.65906876   -1.35315749   -0.92566010
 H                 -5.80755261   -0.53614377    0.17256273
 Au                -1.38266060   -0.09089364   -0.02729868
 C                  0.11075831   -4.51458078   -0.69424274
 H                 -0.64633870   -5.18445695   -1.09126571
 C                  2.27374725   -4.15327900    0.32171592
 H                  3.20444731   -4.54934371    0.72023404
 C                  1.57025322    1.73464347   -0.18746027
 C                  1.60877524    2.41094424   -1.40713430
 C                  1.62453517    2.45008053    1.00867995
 C                  1.70223921    3.80232375   -1.43057143
 H                  1.56673751    1.84656600   -2.34997671
 C                  1.71703509    3.84195422    0.98541433
 H                  1.59400545    1.91722156    1.97006347
 C                  1.75603057    4.51812848   -0.23393171
 H                  1.73324016    4.33541845   -2.39189629
 H                  1.75940280    4.40580821    1.92867881
 H                  1.82966296    5.61518081   -0.25266066

8 12 F
8 14 F

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

Au 0
SDD


--link1--
%nproc=20
%Mem=41GB
%chk=Ph-TS1-3-6endo.chk
#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








