%nprocshared=20
%mem=41GB
#p opt=(qst3,calcfc,noeigentest,maxstep=10) freq=noraman b3lyp genecp nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024) scrf=(pcm,solvent=dichloromethane) gfinput gfprint

sm

1 1
 C                 -0.10846076    0.21411606    0.00231646
 C                  1.12241138    0.40437296    0.49986029
 C                  3.38888775    1.24810214    0.86905689
 H                  3.49634570    1.60602627    1.89746787
 H                  4.22757799    1.62746088    0.28474170
 C                  2.01948582    1.67320391    0.26362122
 H                  2.11389603    1.87027268   -0.80352680
 C                  1.28075695    2.68891341    1.00600109
 C                  1.98350120   -0.56816131    1.28567590
 H                  1.74980498   -1.60956239    1.06627473
 H                  1.88758846   -0.41138008    2.36738204
 H                 -0.56637107    1.08182381   -0.48322061
 H                  1.37553046    2.64703889    2.09082525
 C                  0.38796265    3.62723988    0.48817352
 C                 -0.35213521    4.45048760    1.39395973
 C                  0.15474054    3.79507340   -0.91716518
 C                 -1.26440633    5.37690609    0.94731615
 H                 -0.18771066    4.33472897    2.46116787
 C                 -0.75582578    4.71238183   -1.37004585
 H                  0.70261701    3.19372907   -1.63325404
 C                 -1.47968375    5.51535899   -0.44734759
 H                 -1.81015268    5.98555640    1.65660598
 H                 -0.94607225    4.85218530   -2.42822219
 O                 -2.33550620    6.36959099   -0.99228124
 C                 -3.13010110    7.23556939   -0.15719542
 H                 -3.73091572    7.82474733   -0.84811700
 H                 -3.78004191    6.64589737    0.49596100
 H                 -2.48680794    7.89303907    0.43481593
 Au                -1.13861417   -1.56506920    0.00675119
 P                 -2.31243438   -3.60728103   -0.02040323
 C                 -4.12542343   -3.44603639   -0.27439080
 C                 -1.77318637   -4.76619741   -1.34105364
 C                 -2.15742331   -4.58392398    1.52864457
 H                 -4.31671866   -2.95344421   -1.23216832
 H                 -4.60023120   -4.43283084   -0.27226275
 H                 -4.55343540   -2.83506268    0.52558156
 H                 -1.91226889   -4.29482923   -2.31815656
 H                 -2.35584532   -5.69210621   -1.29659005
 H                 -0.71183119   -4.99714291   -1.21255393
 H                 -2.71767273   -5.52136084    1.44804762
 H                 -1.10244801   -4.80556865    1.71410193
 H                 -2.54529958   -3.99977631    2.36811477
 N                  3.38124242   -0.23152657    0.92907758
 S                  3.91807760   -0.98214075   -0.52151749
 O                  3.34373928   -2.33572317   -0.54304595
 O                  3.71365197   -0.09552032   -1.68271839
 C                  5.68080287   -1.09189920   -0.19457669
 H                  5.82848623   -1.72866109    0.67804406
 H                  6.14275486   -1.52767015   -1.08325695
 H                  6.07181919   -0.08831458   -0.01710117

p

1 1
 C                 -0.81481751    0.17140527   -1.64918169
 C                  0.28757789   -0.52558738   -1.30775551
 C                  2.09666307   -2.11829880   -1.66291704
 H                  3.18490322   -2.16530175   -1.75738805
 H                  1.66872236   -2.97153927   -2.19616068
 C                  1.49923238   -0.82958159   -2.23063986
 H                  1.19126489   -0.95397774   -3.26895882
 C                  2.14203972    0.48898755   -2.05139228
 C                  0.58863426   -1.15714225    0.03219445
 H                 -0.29957344   -1.66300094    0.41808504
 H                  0.91262913   -0.41683153    0.77654821
 H                 -0.80506376    0.58985339   -2.65977294
 H                  1.76271033    1.22390920   -2.75877226
 C                  3.04979543    0.99652727   -1.11275147
 C                  3.37650040    2.38723264   -1.21118719
 C                  3.69523463    0.23585885   -0.08299134
 C                  4.28705841    2.98427360   -0.37040726
 H                  2.89649906    2.98575285   -1.97991017
 C                  4.59576769    0.82553482    0.76430860
 H                  3.44515764   -0.80800149    0.04741411
 C                  4.91032982    2.20421770    0.63372356
 H                  4.51535494    4.03660765   -0.47971382
 H                  5.08503419    0.26204691    1.55119818
 O                  5.79738100    2.66956335    1.50481352
 C                  6.18816361    4.05638385    1.46850113
 H                  6.91617700    4.16900892    2.27037675
 H                  6.64957786    4.29936703    0.50663721
 H                  5.32463630    4.70262299    1.65281059
 Au                -2.46652407    0.45864932   -0.46260552
 P                 -4.37232615    0.79085292    0.88549234
 C                 -5.40471490    2.23074750    0.39821787
 C                 -5.54204189   -0.62629190    0.89379081
 C                 -4.00015270    1.07935050    2.66184518
 H                 -5.74943563    2.09989802   -0.63148410
 H                 -6.27034802    2.32139352    1.06253143
 H                 -4.80618733    3.14472111    0.45383981
 H                 -5.89584854   -0.81290126   -0.12420825
 H                 -6.39697012   -0.41102041    1.54315113
 H                 -5.02676056   -1.52077857    1.25559431
 H                 -4.92640853    1.22727680    3.22679293
 H                 -3.46236976    0.21664856    3.06552188
 H                 -3.36787210    1.96604827    2.76302737
 N                  1.69123349   -2.10624174   -0.23833888
 S                  1.80477660   -3.52510958    0.65097501
 O                  0.51980347   -3.78240058    1.31859654
 O                  2.39707270   -4.53983342   -0.23127934
 C                  3.00563430   -3.10002461    1.91928525
 H                  2.62456497   -2.24965549    2.48868570
 H                  3.12597368   -3.97098090    2.56751635
 H                  3.94938127   -2.85200338    1.42995583

ts

1 1
 C                 -0.63689710   -0.46316909   -0.64903354
 C                  0.23837012    0.36708745   -0.06305146
 C                  1.81386293    2.19404325    0.34334485
 H                  1.48710636    2.79178030    1.19963134
 H                  2.57124849    2.75939612   -0.20023721
 C                  0.61198957    1.80816641   -0.56721859
 H                  0.91620318    1.77082306   -1.61250030
 C                 -0.63232585    2.52931274   -0.32198300
 C                  1.15031520    0.09543230    1.11989605
 H                  1.40161176   -0.95967028    1.22418052
 H                  0.70598689    0.44112285    2.06166983
 H                 -1.23657420   -0.03179072   -1.45689801
 H                 -1.54233967    1.93060718   -0.35371450
 C                 -0.79023185    3.90617770   -0.16388934
 C                 -2.11238157    4.44456079   -0.07448942
 C                  0.31356676    4.82057754   -0.10875899
 C                 -2.33517293    5.79468250    0.05785579
 H                 -2.95875679    3.76535896   -0.11576602
 C                  0.09996791    6.16740832    0.01815758
 H                  1.32964379    4.44794950   -0.16622745
 C                 -1.22480110    6.67544379    0.10183279
 H                 -3.34709586    6.17310336    0.12262712
 H                  0.92170475    6.87341850    0.06029915
 O                 -1.31778812    7.99302997    0.22191158
 C                 -2.61012934    8.62577912    0.31218104
 H                 -2.40025073    9.69002387    0.40607655
 H                 -3.19241237    8.43704013   -0.59450148
 H                 -3.14984724    8.27080597    1.19494238
 Au                -0.86925781   -2.45867947   -0.21236321
 P                 -1.11941728   -4.75289099    0.26011355
 C                 -2.70956357   -5.48245931   -0.30256204
 C                  0.16386575   -5.82208591   -0.50669847
 C                 -1.04041016   -5.16473694    2.04940125
 H                 -2.80023788   -5.36652776   -1.38649740
 H                 -2.75318325   -6.54620921   -0.04615413
 H                 -3.54164875   -4.95867950    0.17673749
 H                  0.13268975   -5.70569669   -1.59377885
 H                 -0.00981491   -6.87149373   -0.24717144
 H                  1.15236473   -5.51764329   -0.15101997
 H                 -1.15524755   -6.24335916    2.19956968
 H                 -0.07687833   -4.84178254    2.45412328
 H                 -1.83783289   -4.63696542    2.58040177
 N                  2.35393510    0.92675320    0.88672403
 S                  3.51564455    0.17871733   -0.13636620
 O                  3.53047053   -1.25178845    0.20414288
 O                  3.31975836    0.58150248   -1.54195051
 C                  5.02161341    0.94738321    0.46972503
 H                  5.15233873    0.66753938    1.51535490
 H                  5.84152045    0.56931753   -0.14498381
 H                  4.93511407    2.03024930    0.36252897

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

Au 0
SDD


