%nprocshared=20
%mem=41GB
%chk=Me-TS4-10B.chk
#p opt=(maxstep=5,loose,modredundant) B3LYP genecp SCRF=(PCM,Solvent=Dichloromethane) EmpiricalDispersion=GD3  nosymm scf=(xqc,maxcyc=512)

preopt freq loose

1 1
 C                  1.26163871   -2.96909681    0.32520581
 C                  0.09371177   -2.26662813   -0.04471863
 C                 -1.03837834   -3.01628958   -0.41995677
 C                  0.13825208   -5.08881597   -0.01863355
 H                 -1.94277381   -2.48962340   -0.71333635
 H                  0.16164914   -6.17481340   -0.01104685
 C                  0.07834401   -0.79293845    0.02403666
 C                  1.26767793   -0.09850879    0.08339029
 C                  2.49755090   -2.17697691    0.67713701
 H                  2.49461974   -1.97280990    1.76170802
 H                  3.38939467   -2.77226143    0.48302066
 C                  2.53063348   -0.83108438    0.00015999
 C                  3.65027148   -0.42899650   -0.74766877
 C                  4.89005344   -1.30433661   -0.91870258
 H                  5.75461108   -0.65945219   -1.10757712
 H                  4.79154697   -1.97257967   -1.78201115
 H                  5.10767994   -1.90645068   -0.03574330
 C                  3.58331483    0.65697758   -1.82031923
 H                  3.44034617    0.18594422   -2.80125736
 H                  4.53167481    1.20251416   -1.85263103
 H                  2.78120576    1.38296589   -1.68115089
 P                 -3.81356029    1.34731597   -0.01513989
 C                 -3.98379890    2.63081253    1.28953302
 H                 -4.96095455    3.11983796    1.21905788
 H                 -3.19439305    3.37833403    1.16859422
 H                 -3.87932280    2.16738392    2.27475027
 C                 -4.17310997    2.25027582   -1.57591697
 H                 -5.14322740    2.75432242   -1.51209613
 H                 -4.18406185    1.54513115   -2.41199777
 H                 -3.38958639    2.99230767   -1.75460708
 C                 -5.27613637    0.26032868    0.22656416
 H                 -5.18737918   -0.25924342    1.18512850
 H                 -5.31228155   -0.48506268   -0.57336659
 H                 -6.19911219    0.84958160    0.21657960
 Au                -1.74760270    0.21309417    0.00139105
 C                 -1.01596755   -4.40987310   -0.41966130
 H                 -1.89868619   -4.96526993   -0.72377849
 C                  1.27182186   -4.36368840    0.35750661
 H                  2.17936486   -4.88602853    0.65098527
 C                  1.28211268    1.41271728    0.26603373
 H                  0.56563522    1.68529228    1.04774174
 H                  2.26282075    1.77849607    0.57947177
 H                  0.99125757    1.95478142   -0.64171570
 H                  4.02307176    0.25824789    0.38952403
 O                  4.45348491    1.19720556    1.19380922
 H                  4.30324415    2.04576831    0.67083382
 C                  3.73679872    1.25720312    2.45031813
 O                  4.00033922    3.25635106   -0.36056666
 H                  2.66629057    1.41662346    2.28485450
 H                  3.89550867    0.30596930    2.95762989
 H                  4.15199831    2.07114313    3.04919805
 H                  3.31922097    3.87110076   -0.04215374
 C                  5.16036098    4.00703658   -0.76835131
 H                  5.89119456    3.27604944   -1.11837742
 H                  4.90766643    4.68645805   -1.58846367
 H                  5.58429132    4.57400265    0.06775934

13 44 F
44 45 F

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

Au 0
SDD


--link1--
%nproc=20
%Mem=41GB
%Chk=Me-TS4-10B.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

13 44 A
44 45 A

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

Au 0
SDD









