%nprocshared=20
%mem=41GB
#p opt=(calcfc,qst3,maxstep=9) freq=noraman genecp scrf=(solvent=dichloromethane,pcm) nosymm bp86 empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

sm

1 1
 C                 -0.34120400   -1.25778900    2.33477900
 H                  0.47875000   -1.96786500    2.11111900
 H                 -1.27456700   -1.73588300    1.98690200
 C                 -0.04802900    0.02850500    1.62326300
 C                  0.25301500    1.15739300    2.30758900
 H                  0.70331600    2.03794000    1.83392000
 C                  0.02408300    1.32747300    3.85652300
 H                  0.59847200    2.19863300    4.19961100
 H                 -1.04530600    1.48586000    4.07088600
 C                  0.52787600    0.01656400    4.30360200
 C                 -0.37608500   -1.09412100    3.92320200
 H                 -0.13667100   -2.05587400    4.39814900
 H                 -1.41093700   -0.82115200    4.19341200
 Au                -0.06700500    0.01169500   -0.43627700
 P                 -0.07490000   -0.03368200   -2.77722700
 C                 -1.66833800    0.48917400   -3.54012400
 C                  1.19085300    1.05812700   -3.55165000
 C                  0.25293800   -1.70121000   -3.48998900
 H                 -0.52157800   -2.40452700   -3.14266200
 H                  0.24238600   -1.65582900   -4.59274300
 H                  1.23703100   -2.05785800   -3.14464200
 H                 -2.47456700   -0.17679100   -3.19188900
 H                 -1.59737200    0.44090800   -4.64040500
 H                 -1.90072700    1.52096400   -3.22989200
 H                  1.01856000    2.09957000   -3.23454300
 H                  1.13038200    0.99210600   -4.65151300
 H                  2.19386100    0.74631300   -3.21740700
 C                  1.85028600   -0.18621300    4.84270900
 C                  2.45107100   -1.48239200    4.82842200
 C                  2.59472900    0.89784700    5.39993700
 C                  3.74186300   -1.67440300    5.32074900
 H                  1.91262500   -2.33296400    4.40212500
 C                  3.87851300    0.69385400    5.90675600
 H                  2.14903600    1.89414100    5.46186600
 C                  4.45764000   -0.58939200    5.86435300
 H                  4.19520700   -2.66967300    5.28752200
 H                  4.43128700    1.53151700    6.34256900
 H                  5.46535600   -0.74618100    6.26262700

prod

1 1
 C                 -2.01948700   -1.15686000    0.92615900
 H                 -1.86527800   -2.08811400    0.35759400
 H                 -3.07313700   -0.86037000    0.72814800
 C                 -1.12150300   -0.03840600    0.44424500
 C                 -0.87288100    0.90020800    1.44807800
 H                 -0.05707800    1.62669900    1.39788900
 C                 -1.91869400    1.15287700    2.57975800
 H                 -1.71567300    2.09778100    3.09473900
 H                 -2.96569300    1.01320700    2.28336700
 C                 -1.13260200   -0.02157800    2.93541800
 C                 -1.71168600   -1.34334200    2.43287300
 H                 -0.98561500   -2.16077800    2.56752000
 H                 -2.60526800   -1.59733200    3.03202700
 Au                -0.28145300    0.02461300   -1.39800500
 P                  0.70098700    0.08755300   -3.53405500
 C                 -0.37619100    0.85378900   -4.81661500
 C                  2.26943400    1.05002400   -3.59621000
 C                  1.13409700   -1.56938200   -4.21100500
 H                  0.22329100   -2.18631800   -4.27745800
 H                  1.58334600   -1.46579200   -5.21361800
 H                  1.85065000   -2.06350500   -3.53479700
 H                 -1.31500200    0.28149900   -4.89470600
 H                  0.13823800    0.85470100   -5.79286800
 H                 -0.61328000    1.88927200   -4.52304300
 H                  2.07286200    2.08527000   -3.27299400
 H                  2.67576600    1.05392800   -4.62211200
 H                  3.00349500    0.59585500   -2.91076800
 C                 -0.02502700    0.01901200    3.91391700
 C                  1.07258300   -0.86629300    3.77990300
 C                 -0.04565000    0.92609700    4.99986700
 C                  2.12029600   -0.84412600    4.70738500
 H                  1.11551400   -1.55054200    2.92553400
 C                  1.00138800    0.93973700    5.93187900
 H                 -0.90026200    1.59702600    5.13318200
 C                  2.08632200    0.05786700    5.78732500
 H                  2.96856900   -1.52570500    4.58666300
 H                  0.96689700    1.63600500    6.77613100
 H                  2.90501000    0.07268800    6.51444200

ts

1 1
 C                 -1.79188800   -1.35194900    0.99010700
 H                 -1.48982000   -2.27188900    0.46084000
 H                 -2.87906500   -1.22861700    0.78242000
 C                 -1.06323900   -0.12399800    0.45917100
 C                 -0.98180200    0.92351500    1.35582200
 H                 -0.29305900    1.76747100    1.25279700
 C                 -1.94093200    0.97390700    2.58833300
 H                 -1.86373800    1.93647500    3.10690400
 H                 -2.98253200    0.71951300    2.34127500
 C                 -1.10072200   -0.13075200    3.07161900
 C                 -1.48649100   -1.48482200    2.51168300
 H                 -0.69422500   -2.23354100    2.67324200
 H                 -2.37722300   -1.83727400    3.07406600
 Au                -0.28162200   -0.05375500   -1.41465700
 P                  0.65410000    0.01501100   -3.62514500
 C                 -0.57193000    0.49946900   -4.97369300
 C                  2.06923900    1.24493600   -3.82207000
 C                  1.37012800   -1.62201200   -4.22713300
 H                  0.57131600   -2.38172400   -4.23104100
 H                  1.77288200   -1.49416900   -5.24651300
 H                  2.17333700   -1.93777700   -3.54166700
 H                 -1.39468400   -0.23371200   -4.98846000
 H                 -0.05765200    0.50894600   -5.94978900
 H                 -0.97561900    1.50030100   -4.75011700
 H                  1.69830500    2.25582800   -3.58649200
 H                  2.44539100    1.21376100   -4.85877800
 H                  2.87642900    0.97799200   -3.12055900
 C                 -0.03256600    0.04658200    4.05371800
 C                  1.05814700   -0.86962200    4.12415000
 C                 -0.07123300    1.12974200    4.98095800
 C                  2.06618200   -0.70743300    5.08405300
 H                  1.13105100   -1.69054900    3.40375200
 C                  0.93621800    1.28201500    5.94361400
 H                 -0.91256300    1.82978000    4.97160300
 C                  2.00834800    0.36677600    5.99756200
 H                  2.90284200   -1.41270100    5.11853100
 H                  0.88413000    2.10943300    6.65862200
 H                  2.79592000    0.48962600    6.74860100

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

Au 0
SDD





