%nprocshared=20
%mem=41GB
%chk=Ph-TS3b-8.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                  1.90147001   -2.03882284    0.83887983
 C                  0.60179815   -1.87307322    0.30663913
 C                 -0.08639389   -3.02879801   -0.10769430
 C                  1.76138088   -4.44596825    0.54427522
 H                 -1.08277656   -2.92161244   -0.52968183
 H                  2.21028063   -5.43067951    0.64008371
 C                  0.00384134   -0.51733604    0.18269452
 C                  0.82014162    0.56713718    0.19091104
 C                  2.63656295   -0.80829807    1.29509012
 H                  2.28964828   -0.52904108    2.29931089
 H                  3.71478700   -0.99309424    1.35858426
 C                  2.35006804    0.35616945    0.31768356
 H                  2.73221123    0.07603330   -0.67522672
 C                  3.07320913    1.59020800    0.75469237
 C                  2.96309093    2.03495717    2.17651300
 H                  3.23035842    3.08645499    2.29910658
 H                  3.65542148    1.43464788    2.78406011
 H                  1.96087953    1.85098720    2.57337734
 C                  3.97654005    2.20339137   -0.10708671
 H                  4.40069631    3.16784894    0.16882902
 H                  3.87695700    2.01382155   -1.17698137
 P                 -4.41656874   -0.17740603   -0.12937314
 C                 -5.23071799    0.48777912    1.37979223
 H                 -6.31629478    0.53404047    1.24306968
 H                 -4.84837286    1.49166111    1.58666469
 H                 -4.99871653   -0.15664632    2.23265729
 C                 -5.02896945    0.91245422   -1.47776538
 H                 -6.12358757    0.94357172   -1.47899248
 H                 -4.67527211    0.53473945   -2.44150508
 H                 -4.63736439    1.92372264   -1.33412566
 C                 -5.27015095   -1.77882908   -0.42765588
 H                 -5.03500595   -2.47244883    0.38487261
 H                 -4.91547337   -2.21027068   -1.36833270
 H                 -6.35458656   -1.63483994   -0.48019960
 Au                -2.07150289   -0.34424684    0.01434312
 C                  0.48254394   -4.29816357    0.00288804
 H                 -0.07375024   -5.16977269   -0.33167482
 C                  2.46358056   -3.31149386    0.96023273
 H                  3.46083561   -3.41443690    1.38316217
 H                  4.90398463    1.31554465    0.15065696
 O                  5.82010499    0.29439384    0.19089374
 H                  5.52476042   -0.22625273   -0.61700491
 C                  7.18425200    0.73633684    0.01076494
 O                  4.74584504   -0.78215799   -1.95893015
 H                  7.28497755    1.34645665   -0.89291760
 H                  7.44858556    1.32729660    0.88836480
 H                  7.83703798   -0.13793028   -0.05450649
 H                  5.17668263   -0.48538217   -2.77703287
 C                  4.47625428   -2.19454760   -2.05842722
 H                  3.94212552   -2.47311779   -1.14944304
 H                  3.83859112   -2.40137678   -2.92396301
 H                  5.40387779   -2.77308153   -2.13393999
 C                  0.36175877    2.01313542   -0.07474710
 C                  0.33775697    2.50883976   -1.37865375
 C                 -0.02951904    2.82722105    0.98813314
 C                 -0.07680061    3.81856307   -1.61946199
 H                  0.64702667    1.86702468   -2.21630967
 C                 -0.44516825    4.13705069    0.74731801
 H                 -0.01083255    2.43663238    2.01585895
 C                 -0.46873875    4.63285660   -0.55619952
 H                 -0.09514810    4.20955406   -2.64712240
 H                 -0.75400882    4.77855852    1.58550620
 H                 -0.79562009    5.66547437   -0.74631910

19 40 F
40 41 F

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

Au 0
SDD


--link1--
%nproc=20
%Mem=41GB
%Chk=Ph-TS3b-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

19 40 A
40 41 A

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

Au 0
SDD









