%nprocshared=20
%mem=41GB
%chk=Cl-TS4-6_2.chk
#p opt=(maxstep=17,modredundant) B3LYP genecp SCRF=(PCM,Solvent=Dichloromethane) EmpiricalDispersion=GD3  nosymm scf(xqc,maxcyc=512)

opt freq

1 1
 C                  1.91334236    2.83744501    0.41566693
 C                  1.41529525    1.55630584    0.13388617
 C                  2.31991973    0.50862818   -0.08174076
 C                  4.17357801    2.03743648    0.30319047
 H                  1.96879077   -0.48617609   -0.33591455
 H                  5.24335186    2.21412509    0.36458452
 C                 -0.07704800    1.59974369    0.03367785
 C                 -0.84432422    0.48780082   -0.18806877
 C                  0.77896798    3.79968232    0.60383601
 H                  0.89218662    4.75200030    0.07676231
 H                  0.65490431    4.06138561    1.66407179
 H                 -2.58043198    3.17689293    0.05757527
 C                 -1.78843972    3.53767577    0.71188271
 C                 -1.88091122    5.07289182    0.77767980
 H                 -1.72748553    5.55683190   -0.19366207
 H                 -2.88457028    5.35048800    1.11290217
 H                 -1.16501108    5.50184972    1.48567012
 C                 -2.01581200    2.93100379    2.11718768
 H                 -1.23510858    3.24504081    2.81863559
 H                 -2.97691469    3.28507417    2.50232323
 H                 -2.03578624    1.83923357    2.08506218
 P                  0.12071351   -3.80588098    0.15369896
 C                 -1.33828868   -4.90325947   -0.04109697
 H                 -1.04270586   -5.95173196    0.06964697
 H                 -2.08594119   -4.65340702    0.71691947
 H                 -1.77774401   -4.75147722   -1.03106790
 C                  0.83404543   -4.25936551    1.78346430
 H                  1.05204287   -5.33181780    1.81693675
 H                  1.75612653   -3.69467479    1.94784456
 H                  0.12236774   -4.00716532    2.57465191
 C                  1.33600402   -4.42673837   -1.07418153
 H                  0.94813915   -4.26697869   -2.08409806
 H                  2.27598338   -3.87795395   -0.96774900
 H                  1.51799698   -5.49502342   -0.91800076
 Au                -0.36005974   -1.52316841   -0.05621842
 C                  3.69065865    0.75544265    0.01258070
 H                  4.39027274   -0.05844712   -0.15613458
 C                  3.27839692    3.09173787    0.50208095
 H                  3.63932784    4.09341132    0.71874554
 C                 -0.46163628    3.02977418    0.17603865
 C                  0.27349421    3.04299493   -2.60881100
 H                  0.24355878    1.95679498   -2.55155386
 H                 -0.06677393    3.37740053   -3.59048436
 H                  1.27704384    3.41318317   -2.38883475
 H                 -0.71780449    4.50183340   -1.66357080
 O                 -0.68340445    3.52838136   -1.62488623
 Cl                -2.54282460    0.66150446   -0.61529646

40 46 F

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

Au 0
SDD


--link1--
%nproc=20
%Mem=41GB
%chk=Cl-TS4-6_2.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

40 46 A

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

Au 0
SDD









