%nprocshared=20
%mem=41GB
%chk=Cl-TS8cisoid-14.chk
#p opt=(maxstep=17,modredundant) B3LYP genecp SCRF=(PCM,Solvent=Dichloromethane) EmpiricalDispersion=GD3  nosymm scf(xqc,maxcyc=512)

opt freq

1 1
 C                  0.65363346    3.81123700    0.88759243
 C                  0.78092272    2.41550863    0.71473357
 C                  1.55625170    1.65656768    1.61062392
 C                  2.05326790    3.69283463    2.84772833
 H                  1.65702423    0.58185510    1.48685230
 H                  2.54737673    4.17949811    3.68417298
 C                  0.04054958    1.99724551   -0.48621201
 C                  0.07955400    0.73689505   -1.01129449
 C                 -0.19090655    4.42627419   -0.20014564
 H                  0.40970684    5.08459804   -0.84186169
 H                 -1.00718039    5.03677340    0.20440239
 C                 -0.73479783    3.20641428   -1.01754569
 H                 -0.53320351    3.32685407   -2.08755813
 C                 -2.24592545    3.02922694   -0.82712473
 C                 -3.09808166    3.30369731   -1.82500874
 H                 -2.75076101    3.60523373   -2.81041343
 H                 -4.17470010    3.22968961   -1.68951748
 C                 -2.70439477    2.57988427    0.54141283
 H                 -2.28721695    3.21526589    1.33564691
 H                 -3.79609825    2.60109396    0.62254255
 H                 -2.36542534    1.55268798    0.74494981
 P                 -0.66214062   -2.90865094    1.43311434
 C                 -0.35864027   -4.43087226    0.45902583
 H                 -0.38963158   -5.31989052    1.09904565
 H                 -1.12365672   -4.52037119   -0.32050591
 H                  0.61941919   -4.34740232   -0.02522688
 C                 -2.35828646   -3.08346582    2.10251230
 H                 -2.45136092   -4.01621569    2.67168037
 H                 -2.58460585   -2.23613467    2.75889460
 H                 -3.07985150   -3.08978325    1.27825806
 C                  0.44577791   -3.03303712    2.88833229
 H                  1.48982148   -3.02343628    2.55607481
 H                  0.28165474   -2.17384476    3.54788452
 H                  0.25116881   -3.95792946    3.44395969
 Au                -0.27449251   -1.00505867    0.18003311
 C                  2.18889426    2.30262308    2.67367716
 H                  2.78711404    1.72803467    3.37523274
 C                  1.28747460    4.45236346    1.95491201
 H                  1.18786391    5.52594918    2.08995929
 Cl                -0.80485322    0.53498917   -2.71523863
 H                  1.38416757    0.16934607   -1.24133256
 O                  2.41780437   -0.36085839   -1.50159878
 H                  2.22469319   -1.41732848   -1.58583943
 C                  3.13205509    0.21390391   -2.66409582
 H                  2.58491263    0.02628548   -3.59324319
 H                  3.21480465    1.28754844   -2.48615976
 H                  4.12949707   -0.22888312   -2.70675805
 O                  1.81617458   -2.78175601   -1.66607479
 H                  2.55149791   -3.44929984   -1.61611989
 C                  0.90738562   -3.08748298   -2.80439896
 H                  0.13278303   -2.32043547   -2.76681745
 H                  1.44875332   -3.03905495   -3.75412759
 H                  0.46072048   -4.07411235   -2.66130825

8 41 F

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

Au 0
SDD


--link1--
%nprocshared=20
%Mem=41GB
%chk=Cl-TS8cisoid-14.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

8 41 A

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

Au 0
SDD










