%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                 -0.21361870    0.64923346   -0.37025963
 C                  1.05458125    1.09149171    0.39314469
 C                  1.94503771   -0.35718664   -1.44302876
 H                  2.90264034    0.01444768   -1.82912239
 H                  1.52764568   -1.07362705   -2.15651084
 C                  0.97932776    0.79174810   -1.21868863
 H                  1.06694474    1.63718984   -1.89776471
 C                  1.46736210    2.41886645    0.64580365
 C                  1.92262086   -0.02832200    0.96959845
 H                  1.42484656   -0.51746770    1.80879435
 H                  2.88827475    0.36776187    1.30935548
 H                 -0.90478979    1.46723338   -0.54913974
 H                  2.48832189    2.50774298    1.01640534
 C                  0.79566805    3.65387591    0.45422329
 C                 -0.61301145    3.80787449    0.43824967
 C                  1.59310862    4.82943256    0.30097299
 C                 -1.19319743    5.04386870    0.23256670
 H                 -1.25073253    2.95689144    0.65743421
 C                  1.02270522    6.05401756    0.05300751
 H                  2.67731641    4.74626053    0.35268668
 C                 -0.38319777    6.17475983    0.00329732
 H                 -2.27633482    5.12733198    0.25236037
 H                  1.62395797    6.94845480   -0.08993795
 O                 -0.84970260    7.40199641   -0.24402476
 C                 -2.26802820    7.63499146   -0.28000579
 H                 -2.38063251    8.68991243   -0.53451720
 H                 -2.74404082    7.01222386   -1.04811613
 H                 -2.71785131    7.43980624    0.70048813
 Au                -1.16394279   -1.19916748   -0.04081448
 P                 -2.17206985   -3.30700537    0.10310649
 C                 -4.00866384   -3.33183652    0.15034608
 C                 -1.72996295   -4.35339923   -1.33958011
 C                 -1.64865715   -4.28972538    1.56267641
 H                 -4.40303361   -2.82950142   -0.73606655
 H                 -4.37848058   -4.36154042    0.17713636
 H                 -4.35760965   -2.79888197    1.03915197
 H                 -2.13167164   -3.90236642   -2.24923849
 H                 -2.13606275   -5.36127262   -1.22373466
 H                 -0.64219942   -4.39243189   -1.41757901
 H                 -2.03101284   -5.31306714    1.49287817
 H                 -0.55723365   -4.29493794    1.60616594
 H                 -2.03209306   -3.81927861    2.47282331
 N                  2.10825771   -0.98371280   -0.12939198
 S                  3.15857814   -2.26274738    0.03076513
 O                  2.96413975   -2.85163750    1.36561078
 O                  3.03637688   -3.10395683   -1.17027077
 C                  4.79005919   -1.50523515    0.00316293
 H                  4.89388774   -0.87824498    0.89476558
 H                  5.53023922   -2.31381929    0.00906058
 H                  4.87786558   -0.90750888   -0.90997334

prod

1 1
 C                  0.32912753    1.19615913   -0.31981007
 C                  1.08648819    1.14644421    0.95843592
 C                  1.87529298   -0.36177327   -1.37197347
 H                  2.83289561    0.00986105   -1.75806710
 H                  1.45790095   -1.07821368   -2.08545555
 C                  0.89322944    0.72202318   -1.49790626
 H                  0.64762312    1.23677718   -2.42435035
 C                  0.96740015    2.17741055    1.91711977
 C                  1.85287613   -0.03290863    1.04065374
 H                  1.35510183   -0.52205433    1.87984964
 H                  2.81853002    0.36317524    1.38041077
 H                 -0.40297370    1.97640352   -0.50443378
 H                  1.48538766    1.97899551    2.85516239
 C                  0.32935264    3.44277721    1.84735658
 C                 -0.95245272    3.66596357    1.28565245
 C                  1.01009668    4.56446187    2.41281358
 C                 -1.50191134    4.93200596    1.24281754
 H                 -1.54499792    2.82306425    0.94314244
 C                  0.48810271    5.83247282    2.33454567
 H                  1.97710177    4.41381331    2.88957828
 C                 -0.77418952    6.03459114    1.73506294
 H                 -2.49773257    5.06040774    0.82760967
 H                  1.01205045    6.69447933    2.73998347
 O                 -1.20266734    7.29958975    1.70205000
 C                 -2.49190792    7.60444320    1.14334443
 H                 -2.58180149    8.69021657    1.20104507
 H                 -2.54755942    7.27981353    0.09647315
 H                 -3.28963275    7.13438522    1.73027461
 Au                -0.93852633   -0.13533380   -1.37508532
 P                 -2.91925667   -1.34794183   -1.66885918
 C                 -4.48430960   -0.45309403   -1.31420103
 C                 -3.09458271   -1.92120431   -3.40447842
 C                 -3.01437632   -2.88205425   -0.66511860
 H                 -4.54172207    0.44225161   -1.93762338
 H                 -5.34796467   -1.09305853   -1.51991347
 H                 -4.50075831   -0.14990595   -0.26368399
 H                 -3.18546885   -1.05514162   -4.06323025
 H                 -3.97789570   -2.55521149   -3.51374434
 H                 -2.19601602   -2.47718426   -3.67706065
 H                 -3.88446800   -3.47831961   -0.95787126
 H                 -2.09556273   -3.45362538   -0.81415484
 H                 -3.09357686   -2.61820645    0.39357033
 N                  2.03851298   -0.98829943   -0.05833669
 S                  3.08883341   -2.26733401    0.10182042
 O                  2.89439502   -2.85622413    1.43666607
 O                  2.96663215   -3.10854346   -1.09921548
 C                  4.72031446   -1.50982178    0.07421822
 H                  4.82414301   -0.88283161    0.96582087
 H                  5.46049449   -2.31840592    0.08011587
 H                  4.80812085   -0.91209551   -0.83891805

ts

1 1
 C                 -0.21361870    0.64923346   -0.37025963
 C                  1.06277073    1.12411138    0.56855284
 C                  1.94503771   -0.35718664   -1.44302876
 H                  2.90264034    0.01444768   -1.82912239
 H                  1.52764568   -1.07362705   -2.15651084
 C                  0.97113828    0.75912843   -1.39409678
 H                  1.05875526    1.60457017   -2.07317286
 C                  1.47555158    2.45148612    0.82121180
 C                  1.92262086   -0.02832200    0.96959845
 H                  1.42484656   -0.51746770    1.80879435
 H                  2.88827475    0.36776187    1.30935548
 H                 -0.90478979    1.46723338   -0.54913974
 H                  2.49651137    2.54036265    1.19181349
 C                  0.80385753    3.68649558    0.62963144
 C                 -0.60482197    3.84049416    0.61365782
 C                  1.60129810    4.86205223    0.47638114
 C                 -1.18500795    5.07648837    0.40797485
 H                 -1.24254305    2.98951111    0.83284236
 C                  1.03089470    6.08663723    0.22841566
 H                  2.68550589    4.77888020    0.52809483
 C                 -0.37500829    6.20737950    0.17870547
 H                 -2.26814534    5.15995165    0.42776852
 H                  1.63214745    6.98107447    0.08547020
 O                 -0.84151312    7.43461608   -0.06861661
 C                 -2.25983872    7.66761113   -0.10459764
 H                 -2.37244303    8.72253210   -0.35910905
 H                 -2.73585134    7.04484353   -0.87270798
 H                 -2.70966183    7.47242591    0.87589628
 Au                -1.19368542   -1.20112585   -0.04000936
 P                 -2.20181248   -3.30896374    0.10391161
 C                 -4.03840647   -3.33379489    0.15115120
 C                 -1.75970558   -4.35535760   -1.33877499
 C                 -1.67839978   -4.29168375    1.56348153
 H                 -4.43277624   -2.83145979   -0.73526143
 H                 -4.40822321   -4.36349879    0.17794148
 H                 -4.38735228   -2.80084034    1.03995709
 H                 -2.16141427   -3.90432479   -2.24843337
 H                 -2.16580538   -5.36323099   -1.22292954
 H                 -0.67194205   -4.39439026   -1.41677389
 H                 -2.06075547   -5.31502551    1.49368329
 H                 -0.58697628   -4.29689631    1.60697106
 H                 -2.06183569   -3.82123698    2.47362843
 N                  2.10825771   -0.98371280   -0.12939198
 S                  3.15857814   -2.26274738    0.03076513
 O                  2.96413975   -2.85163750    1.36561078
 O                  3.03637688   -3.10395683   -1.17027077
 C                  4.79005919   -1.50523515    0.00316293
 H                  4.89388774   -0.87824498    0.89476558
 H                  5.53023922   -2.31381929    0.00906058
 H                  4.87786558   -0.90750888   -0.90997334

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

Au 0
SDD


