%nprocshared=20
%mem=41GB
%chk=Cl-TS3a-4.chk
#p opt=(maxstep=17,modredundant) B3LYP genecp SCRF=(PCM,Solvent=Dichloromethane) EmpiricalDispersion=GD3  nosymm scf(xqc,maxcyc=512)

opt freq

1 1
 C                  1.91050653    2.92145976   -0.41822843
 C                  1.36269619    1.75763326    0.14822988
 C                  2.20174237    0.77729167    0.68403283
 C                  4.12602676    2.10906578    0.01676147
 H                  1.78999435   -0.10607245    1.16147578
 H                  5.20348093    2.23664747   -0.02917622
 C                 -0.12166812    1.81269370    0.04028470
 C                 -0.92649376    0.73119693   -0.13482735
 C                  0.82019003    3.86882401   -0.87908142
 H                  0.68423412    3.83589602   -1.96786866
 H                  1.00297898    4.90599802   -0.59059212
 C                 -0.38430467    3.26559282   -0.16344771
 H                 -1.59177527    3.41155828   -0.74720747
 C                 -1.41723187    4.03869036    0.40208948
 C                 -1.50060021    5.52363715    0.13995424
 H                 -1.07173187    5.81869969   -0.81868856
 H                 -2.54071780    5.85571295    0.18423149
 H                 -0.95028977    6.03438516    0.93979159
 C                 -2.34796315    3.49989331    1.45452391
 H                 -2.29286508    4.19500084    2.30048718
 H                 -3.38364979    3.49148383    1.10362692
 H                 -2.06985396    2.50083586    1.78895391
 P                  0.15666935   -3.53802747    0.04555481
 C                 -0.99910410   -4.59016904    1.00867779
 H                 -0.64633367   -5.62656157    1.02304507
 H                 -1.06627573   -4.21381928    2.03339193
 H                 -1.99267987   -4.54999846    0.55345749
 C                  1.79638891   -3.81206591    0.82433286
 H                  2.03881860   -4.87953824    0.84050624
 H                  2.56154411   -3.27211859    0.25931908
 H                  1.77932798   -3.42733531    1.84804924
 C                  0.27272371   -4.35340176   -1.59514776
 H                 -0.69894426   -4.30297886   -2.09459077
 H                  1.01125710   -3.83122949   -2.20992332
 H                  0.56960492   -5.40094219   -1.47972225
 Au                -0.43844826   -1.27626552   -0.04813729
 C                  3.58485069    0.96093162    0.60876332
 H                  4.24657927    0.20764049    1.02657707
 C                  3.28655482    3.10417299   -0.49608968
 H                  3.70140537    4.00514099   -0.93908535
 Cl                -2.58721302    1.01848841   -0.64185315

12 13 F
13 14 F

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

Au 0
SDD


--link1--
%nproc=20
%Mem=41GB
%Chk=Cl-TS3a-4.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

12 13 A
13 14 A

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

Au 0
SDD







