%nprocshared=20
%mem=41GB
%chk=Ph-TS3b-4.chk
#p opt=(maxstep=17,modredundant) B3LYP genecp SCRF=(PCM,Solvent=Dichloromethane) EmpiricalDispersion=GD3  nosymm scf(xqc,maxcyc=512)

opt freq

1 1
 C                  2.63549107   -2.20156642    0.43448335
 C                  1.32816586   -1.96500782   -0.04676882
 C                  0.56876220   -3.07303228   -0.46619074
 C                  2.36514460   -4.58702400    0.10186735
 H                 -0.43801378   -2.90832777   -0.84122233
 H                  2.76806029   -5.59392894    0.16226558
 C                  0.77670535   -0.59040759   -0.03225167
 C                  1.62900992    0.47942536    0.00722551
 C                  3.46984608   -1.01487819    0.85443446
 H                  3.25703615   -0.74551074    1.89996999
 H                  4.53090360   -1.26147582    0.79751244
 C                  3.10363889    0.20194223    0.01663153
 H                  3.47882506   -0.04732610   -1.11525922
 C                  4.12351318    1.11011252   -0.40810859
 C                  3.85108910    2.30139276   -1.27055655
 H                  4.62400871    2.38228104   -2.04125164
 H                  3.93807670    3.19719334   -0.64010715
 H                  2.86761482    2.29421301   -1.73532570
 C                  5.56419858    0.87561906   -0.04781684
 H                  5.67118633    0.77448593    1.03741703
 H                  6.18392137    1.70166236   -0.40000825
 H                  5.94698120   -0.04533466   -0.50173794
 P                 -3.63739167   -0.08862110   -0.02168421
 C                 -4.28796217    0.89391662    1.38891513
 H                 -5.37927018    0.96516349    1.33404455
 H                 -3.85657835    1.89874652    1.36249817
 H                 -4.00172567    0.41445402    2.32944022
 C                 -4.31377870    0.75634842   -1.50743914
 H                 -5.40195155    0.85296154   -1.43246033
 H                 -4.06067208    0.17976171   -2.40186495
 H                 -3.86682732    1.75096377   -1.59453175
 C                 -4.56641303   -1.67195799    0.06396060
 H                 -4.28717118   -2.20798918    0.97565234
 H                 -4.30856624   -2.29229843   -0.79925233
 H                 -5.64532213   -1.48496156    0.06797358
 Au                -1.29637324   -0.34286706   -0.02821838
 C                  1.08195847   -4.36810415   -0.40505636
 H                  0.47748796   -5.20530970   -0.74255835
 C                  3.13662994   -3.50015712    0.52172797
 H                  4.14110949   -3.66325543    0.90530504
 C                  1.13689760    1.93285156    0.13752427
 C                  0.99516903    2.51080636    1.39940884
 C                  0.83297062    2.67151110   -1.00596102
 C                  0.54896326    3.82690883    1.51771543
 H                  1.23412674    1.92794451    2.30074843
 C                  0.38755830    3.98834954   -0.88783274
 H                  0.94478810    2.21620643   -2.00060846
 C                  0.24538685    4.56607661    0.37373602
 H                  0.43662728    4.28232146    2.51233922
 H                  0.14839296    4.57064237   -1.78961388
 H                 -0.10635766    5.60377833    0.46726287

12 13 F
13 14 F

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

Au 0
SDD


--link1--
%nproc=20
%Mem=41GB
%chk=Ph-TS3b-4.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

12 13 A
13 14 A

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

Au 0
SDD








