%nprocshared=20
%mem=41GB
%chk=th
#p opt=(calcfc,modredundant,maxstep=7) freq=noraman b3lyp/genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

opt freq

1 1
 C                  0.78494521   -0.54727802   -0.87169589
 C                  1.37216608   -1.85247074   -0.68519434
 C                  3.28879791   -2.94716059    0.31259885
 H                  4.00545958   -2.63495281    1.07471493
 H                  3.78088826   -3.67842419   -0.33619299
 C                  2.79883955   -1.78941308   -0.52735032
 H                  3.44623722   -1.36113957   -1.28672333
 C                  2.02890971   -0.48239448    0.20301544
 C                  0.81716396   -2.99489401    0.10668036
 H                  0.51383896   -3.75459012   -0.62898963
 H                 -0.07188535   -2.73044472    0.68292234
 C                  1.99691342   -3.54605602    0.95714468
 H                  1.17984609   -0.01155817   -1.73658416
 H                  1.73692060   -0.69869648    1.22398465
 C                  2.89429682    0.75449274    0.13254841
 C                  3.37127991    1.25131392    1.34949506
 C                  3.26361024    1.40263638   -1.05421345
 C                  4.18573216    2.38522487    1.39692853
 H                  3.11280694    0.74721087    2.27658103
 C                  4.07515381    2.52821334   -1.01918239
 H                  2.92789829    1.03399097   -2.01919211
 C                  4.54144592    3.03304033    0.20674329
 H                  4.53192944    2.74488321    2.35830762
 H                  4.36230632    3.03643328   -1.93388785
 Au                -1.15739849   -0.03378553   -0.31529147
 P                 -3.32822420    0.59423504    0.31593521
 C                 -4.06217885    1.91369740   -0.72970729
 C                 -4.55357234   -0.77296774    0.26022207
 C                 -3.44535749    1.24497214    2.02953458
 H                 -4.11012133    1.57163347   -1.76743526
 H                 -5.07057192    2.16016127   -0.38126541
 H                 -3.43257727    2.80688162   -0.68327063
 H                 -4.60804089   -1.17326736   -0.75615607
 H                 -5.54121877   -0.40906014    0.56158564
 H                 -4.23925121   -1.57302536    0.93664417
 H                 -4.48097012    1.50876957    2.26746295
 H                 -3.09383417    0.48454127    2.73270438
 H                 -2.81292017    2.13201515    2.12615668
 H                  5.15798290    3.90537566    0.14499192
 H                  1.88520183   -3.22156821    1.97061801
 H                  2.02904282   -4.61537648    0.93661554

1 8 F
2 8 F
6 8 F

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

Au 0
SDD


--link1--
%nprocshared=20
%mem=41GB
%chk=th
#p opt=(calcfc,ts,noeigentest,maxstep=7,modredundant) geom=checkpoint guess=read freq=noraman nosymm b3lyp genecp scrf=(pcm,solvent=dichloromethane) empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

opt freq

1 1

1 8 A
2 8 A
6 8 A

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

Au 0
SDD





