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

opt freq

1 1
 C                  2.84824511   -1.57666846   -0.75962613
 C                  1.82396672   -1.10508331    0.09015891
 C                  1.16714120   -1.98327287    0.97840737
 C                  2.49600417   -3.80793369    0.12039732
 H                  0.39377239   -1.59823291    1.63534079
 H                  2.76484775   -4.85992201    0.13150977
 C                  1.44827214    0.26905067    0.01023050
 C                  0.62673046    1.24855934    0.01082909
 C                  3.57119401   -0.56194376   -1.62385394
 H                  3.07647228   -0.51002832   -2.60195965
 H                  4.59398845   -0.90845043   -1.81451708
 C                  3.57543604    0.82508485   -1.00585096
 H                  3.19243660    1.63490248   -1.62173014
 C                  4.16588926    1.15216698    0.17823157
 C                  4.82647394    0.15016455    1.08537425
 H                  5.87293895    0.43885840    1.24792635
 H                  4.34466344    0.15726463    2.07207388
 H                  4.80878228   -0.87101947    0.70315947
 C                  4.22940481    2.57584889    0.66040239
 H                  3.67371410    2.69358795    1.59950748
 H                  5.27139532    2.84635879    0.87611706
 H                  3.82604148    3.28231103   -0.06786732
 P                 -3.51724080   -0.39207961   -0.03424149
 C                 -4.73038347    0.77538905    0.69053693
 H                 -5.73795613    0.35101394    0.63306956
 H                 -4.47242217    0.96536125    1.73604020
 H                 -4.70062545    1.72020239    0.14120922
 C                 -3.72110175   -1.95425486    0.90498581
 H                 -4.76282353   -2.28814763    0.85945153
 H                 -3.07205001   -2.72225431    0.47538921
 H                 -3.43509913   -1.79183809    1.94778115
 C                 -4.13589780   -0.75334930   -1.72179902
 H                 -4.10585965    0.15897862   -2.32360448
 H                 -3.49614078   -1.50651131   -2.18981947
 H                 -5.16446481   -1.12534079   -1.67354745
 Au                -1.33715244    0.40739672   -0.00477482
 C                  1.49840718   -3.33422692    0.97961634
 H                  0.98971659   -4.01357343    1.65624610
 C                  3.17070552   -2.93112383   -0.73571874
 H                  3.96632283   -3.30167790   -1.37581103
 Cl                 0.78841641    3.00085683   -0.01935661

7 12 F
7 14 F

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

Au 0
SDD


--link1--
%nproc=20
%Mem=41GB
%Chk=Cl-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 Cl 0
6-31G*
****
Au 0
SDD 
****

Au 0
SDD






