%nprocshared=20
%mem=41GB
%chk=Cl-TS4-10.chk
#p opt=(maxstep=17,modredundant) B3LYP genecp SCRF=(PCM,Solvent=Dichloromethane) EmpiricalDispersion=GD3  nosymm scf(xqc,maxcyc=512)

opt freq

1 1
 C                  3.25565708    1.08061907   -0.24218636
 C                  2.27174037    0.22241835    0.26941097
 C                  2.60595172   -1.09425219    0.60099152
 C                  4.87025428   -0.69598923   -0.19628988
 H                  1.87661219   -1.75770087    1.05455571
 H                  5.87682601   -1.06225018   -0.37648285
 C                  0.97281289    0.96466518    0.36822908
 C                 -0.23017102    0.31305338    0.26986300
 C                  2.69899849    2.47072965   -0.40165770
 H                  2.56814787    2.75462892   -1.45689304
 H                  3.33645934    3.23597033    0.05206217
 C                  1.34501126    2.38596464    0.28071860
 C                 -0.26955217    3.46786823    1.93654533
 H                  0.23167391    3.95332999    2.78323279
 H                 -1.19572479    4.01634013    1.74326257
 H                 -0.51371388    2.44745199    2.23050481
 C                  1.40894176    4.87813675    0.65706085
 H                  0.68921405    5.68847183    0.81017917
 H                  2.16367204    4.95178393    1.44964642
 H                  1.90322915    5.04448775   -0.30345024
 P                 -1.00454982   -4.00516873   -0.20884872
 C                 -2.55051567   -4.61372417    0.57269873
 H                 -2.65506041   -5.69226782    0.41547343
 H                 -2.52335042   -4.40365349    1.64566968
 H                 -3.40898142   -4.09626791    0.13537955
 C                  0.31954836   -5.06089537    0.50246655
 H                  0.08722639   -6.11975758    0.34813189
 H                  1.27224503   -4.82223073    0.02103462
 H                  0.40841059   -4.86014447    1.57406603
 C                 -1.12825828   -4.53588911   -1.96248380
 H                 -1.95900306   -4.01156706   -2.44312195
 H                 -0.20230518   -4.28024807   -2.48530784
 H                 -1.29469806   -5.61630944   -2.02295831
 Au                -0.59891237   -1.71736642    0.06276639
 C                  3.90617498   -1.54626281    0.35884652
 H                  4.17252192   -2.56702112    0.61882766
 C                  4.54887109    0.63321860   -0.49093215
 H                  5.29953615    1.30842279   -0.89289017
 C                  0.68034851    3.53111245    0.73780575
 H                 -0.07358132    3.63497518   -0.34880249
 O                 -0.90357567    4.08680329   -1.32786298
 H                 -1.65199050    4.53027272   -0.82315314
 C                 -0.31976813    5.02952047   -2.25255897
 O                 -2.71433924    5.30241659    0.16004641
 H                 -0.02462999    5.95448470   -1.74796220
 H                  0.55722589    4.55018084   -2.68988117
 H                 -1.04641031    5.24762744   -3.04017579
 H                 -2.89673917    6.20646515   -0.14445042
 C                 -3.96478146    4.62626711    0.38745510
 H                 -3.71297331    3.64570822    0.79456853
 H                 -4.56959947    5.17317224    1.11788566
 H                 -4.52948220    4.50089896   -0.54330955
 Cl                -1.72862926    1.22006461    0.09795163

39 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-TS4-10.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

39 40 A
40 41 A

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

Au 0
SDD









