%nprocshared=20
%mem=41GB
%chk=Cl-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                  2.69838954   -1.84879000    0.36080929
 C                  1.39512518   -1.59582846   -0.12462163
 C                  0.59510866   -2.66672770   -0.56290698
 C                  2.35627888   -4.22624401   -0.02921204
 H                 -0.40214231   -2.46396288   -0.94265000
 H                  2.73512111   -5.24319362    0.01372899
 C                  0.88788914   -0.22325462   -0.14920616
 C                  1.43390837    0.94253538   -0.18582596
 C                  3.57565380   -0.70352702    0.80523852
 H                  3.18487282   -0.27753824    1.73790928
 H                  4.58056254   -1.08077472    1.03101290
 C                  3.67391691    0.36637430   -0.26396027
 H                  3.58635311    0.00785129   -1.28905815
 C                  4.18586429    1.62149587   -0.09005608
 C                  4.49487304    2.21634240    1.24950786
 H                  3.92903736    3.14813818    1.38219278
 H                  5.55732093    2.49023303    1.29379560
 H                  4.27419539    1.55168862    2.08600309
 C                  4.46031975    2.50191640   -1.27263119
 H                  5.53707352    2.71223714   -1.33161784
 H                  3.96015789    3.47204104   -1.15841376
 H                  4.14157787    2.04834237   -2.21476147
 P                 -3.56368269    0.25405135    0.11625896
 C                 -4.16415924    0.93014214    1.71151993
 H                 -5.25870030    0.96072162    1.71508215
 H                 -3.77071308    1.94066529    1.85188010
 H                 -3.81322183    0.29659606    2.53070710
 C                 -4.31971653    1.31323925   -1.17502158
 H                 -5.40699674    1.33721877   -1.04781134
 H                 -4.07623752    0.91188712   -2.16253185
 H                 -3.91985296    2.32793072   -1.09681839
 C                 -4.38005304   -1.37812688   -0.05701488
 H                 -4.03038234   -2.04503464    0.73572967
 H                 -4.12080428   -1.81341310   -1.02597683
 H                 -5.46668754   -1.26469699    0.01330038
 Au                -1.25180324    0.11530009   -0.02827268
 C                  1.07348750   -3.97366656   -0.52134490
 H                  0.44731919   -4.78989928   -0.86869271
 C                  3.15767878   -3.16751565    0.40281657
 H                  4.15892818   -3.36565184    0.77635039
 Cl                 1.16314854    2.68052632   -0.12519092

8 12 F
8 14 F

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

Au 0
SDD


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

Au 0
SDD




