%nprocshared=20
%mem=41GB
%chk=Cl-TS4-11.chk
#p opt=(maxstep=17,modredundant) B3LYP genecp SCRF=(PCM,Solvent=Dichloromethane) EmpiricalDispersion=GD3  nosymm scf(xqc,maxcyc=512)

opt freq

1 1
 C                  1.19075559    2.43394257    1.09800604
 C                  0.84312975    1.07202779    0.98762130
 C                  1.81054104    0.10197534    1.26928880
 C                  3.43878203    1.86142278    1.70762908
 H                  1.57146768   -0.95614272    1.23413137
 H                  4.44676197    2.15276655    1.98853627
 C                 -0.60098076    0.98568434    0.59541867
 C                 -1.19205300   -0.21034774    0.24411184
 C                  0.01068603    3.23608145    0.73002455
 H                 -0.11580318    4.26610478    1.05864998
 C                 -1.09316189    2.36822728    0.56526166
 C                 -3.27394729    2.73948433    1.67633420
 H                 -2.83799074    3.38063862    2.45029801
 H                 -4.31248612    3.04685710    1.51572170
 H                 -3.27161449    1.70773202    2.03740435
 C                 -2.53013447    4.34403840   -0.14315210
 H                 -3.56846308    4.61509051   -0.35861070
 H                 -2.15830462    5.04656788    0.61092482
 H                 -1.94742464    4.47709431   -1.06093303
 P                  0.60335962   -4.18695787   -0.42852782
 C                 -0.41685280   -5.58845872    0.17541235
 H                  0.08705143   -6.54017561   -0.02202189
 H                 -0.58248042   -5.48020089    1.25100166
 H                 -1.38545528   -5.57675439   -0.33205646
 C                  2.23574814   -4.40642579    0.38264894
 H                  2.64582133   -5.39568286    0.15459997
 H                  2.92434128   -3.63530140    0.02573056
 H                  2.12026266   -4.30059524    1.46511607
 C                  0.90805244   -4.55204112   -2.20165699
 H                 -0.03957378   -4.52354566   -2.74681734
 H                  1.57645762   -3.79372735   -2.61909312
 H                  1.36422621   -5.54107166   -2.31360565
 Au                -0.34149272   -2.07819648   -0.04602959
 C                  3.10171439    0.50423690    1.62332420
 H                  3.85039324   -0.25089819    1.84592367
 C                  2.47788327    2.84046606    1.44346877
 H                  2.72312716    3.89700206    1.51384873
 C                 -2.48447668    2.88824635    0.34988682
 H                 -2.97710677    2.26746232   -0.40249293
 H                  0.18927768    3.42730144   -0.56926767
 O                  0.49787120    3.64845640   -1.84893436
 H                  0.71798611    4.63119931   -1.91313061
 C                  1.65605708    2.87231045   -2.23830384
 O                  1.12048392    6.19831958   -1.85691611
 H                  2.52028755    3.11946451   -1.61509364
 H                  1.39644062    1.82139840   -2.10445364
 H                  1.87652664    3.06908530   -3.29050157
 H                  0.48807550    6.73705135   -2.36048175
 C                  1.18271137    6.69561969   -0.50811429
 H                  1.90702903    6.07091125    0.01889069
 H                  1.52928240    7.73390674   -0.49538566
 H                  0.20963997    6.62700889   -0.00707754
 Cl                -2.91492874   -0.29481222   -0.10540917

9 40 F
40 41 F

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

Au 0
SDD


--link1--
%nproc=20
%Mem=41GB
%chk=Cl-TS4-11.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

9 40 A
40 41 A

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

Au 0
SDD








