%nprocshared=20
%mem=41GB
%chk=Cl-TS3a2-8.chk
#p opt=(maxstep=17,modredundant) B3LYP genecp SCRF=(PCM,Solvent=Dichloromethane) EmpiricalDispersion=GD3  nosymm scf(xqc,maxcyc=512)

opt freq

1 1
 C                  2.62388455    1.84163548    0.25642043
 C                  2.06234315    0.58075709   -0.02032016
 C                  2.87516703   -0.54926112   -0.16448005
 C                  4.81622458    0.85494800    0.24062825
 H                  2.43755029   -1.51869752   -0.38504262
 H                  5.89385684    0.95339460    0.33522097
 C                  0.60693344    0.71732373   -0.10019314
 C                 -0.34906886   -0.22119392   -0.11201220
 C                  1.55394647    2.90471912    0.42289298
 H                  1.77552705    3.82977034   -0.11645795
 H                  1.44602210    3.16552152    1.48167664
 C                  0.27924614    2.20638850   -0.13979515
 H                  0.16338654    2.49035285   -1.19371938
 C                 -1.03781937    2.48385303    0.56918410
 C                 -1.87086085    3.61223152    0.02545101
 H                 -1.94964015    3.57701001   -1.06334280
 H                 -2.86661588    3.64069946    0.47401139
 C                 -1.05776652    2.32492595    2.06850709
 H                 -0.60023043    3.22355795    2.50031308
 H                 -2.08064284    2.26196687    2.44515373
 H                 -0.48525421    1.45350112    2.39390560
 P                 -0.51094406   -4.60273720   -0.10068591
 C                 -1.96638610   -5.31740241    0.76026517
 H                 -1.92701928   -6.41122045    0.73015602
 H                 -1.97439114   -4.98174335    1.80115689
 H                 -2.88268017   -4.97307878    0.27246974
 C                  0.94413473   -5.35880965    0.72339637
 H                  0.87175950   -6.45075619    0.69222068
 H                  1.85747000   -5.03991324    0.21326179
 H                  0.98817914   -5.02601755    1.76419580
 C                 -0.54065596   -5.35119079   -1.77680884
 H                 -1.43549272   -5.01678462   -2.30919117
 H                  0.34215067   -5.02780613   -2.33550499
 H                 -0.54599360   -6.44357766   -1.70487381
 Au                -0.47010972   -2.26211501   -0.10970077
 C                  4.25581915   -0.40151065   -0.03146188
 H                  4.90336236   -1.26597135   -0.14633463
 C                  4.00269422    1.98346458    0.38761860
 H                  4.44109784    2.95481342    0.59963959
 Cl                -1.99014812    0.73422683   -0.08256006
 H                 -1.25229195    4.71957782    0.35191012
 O                 -0.71300848    5.91265137    0.73581822
 H                 -0.77168461    6.51283568   -0.07275668
 C                 -1.46765005    6.49696631    1.82031290
 O                 -0.95753949    7.41874477   -1.41313560
 H                 -2.50954605    6.66499259    1.52916285
 H                 -1.42358379    5.79754207    2.65649454
 H                 -1.00309659    7.44323208    2.10941560
 H                 -0.56643899    8.29992007   -1.29471238
 C                 -0.40104262    6.82592853   -2.60016869
 H                 -0.86049059    5.84066471   -2.70019387
 H                 -0.64718537    7.42595298   -3.48233523
 H                  0.68678747    6.71273933   -2.52381117

15 41 F

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

Au 0
SDD


--link1--
%nproc=20
%Mem=41GB
%Chk=Cl-TS3a2-8.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

15 41 A

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

Au 0
SDD










