%nprocshared=20
%mem=41GB
#p opt=(qst3,calcfc,maxstep=4) freq=noraman bp86 genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

sm

1 1
 Au                 0.19649000   -0.18417000    0.17406700
 C                  0.88778900    1.74442500    0.22864500
 C                  0.22658100    2.82233400   -0.22899100
 C                 -0.33676200    5.01736600    0.27526900
 C                  0.80473400    4.26876300   -0.25365200
 H                  1.76620800    4.45413600    0.25314300
 C                 -1.21606400    2.97846800   -0.69009800
 H                 -1.86009700    2.15148100   -0.35205000
 H                 -1.27277200    3.02674100   -1.79489900
 C                 -1.61127400    4.34208000   -0.07133900
 P                 -0.54470200   -2.40650600    0.14516700
 C                 -2.26050600   -2.65058000    0.77254900
 C                 -0.55543200   -3.17109500   -1.53227300
 H                  1.90571500    1.91712000    0.62095400
 C                  0.48488800   -3.54751900    1.16238700
 H                  0.47638600   -3.20922700    2.21144300
 H                  0.09184800   -4.57698800    1.10300500
 H                  1.52271100   -3.52714800    0.79155400
 H                 -2.32327200   -2.28753100    1.81138600
 H                 -2.53439500   -3.71927700    0.73804200
 H                 -2.96180700   -2.07050000    0.15058800
 H                 -1.22173100   -2.59161000   -2.19212800
 H                 -0.90680000   -4.21602800   -1.47841700
 H                  0.46512700   -3.14625700   -1.94809800
 H                  0.92557900    4.55519900   -1.32762300
 H                 -2.22186000    5.01210000   -0.71507600
 H                 -2.21219000    4.24471000    0.85784500
 C                 -0.24063300    6.18411000    1.15808800
 H                  0.54771000    6.88228700    0.82306500
 H                 -1.20380400    6.69272200    1.31596300
 H                  0.11192800    5.80187400    2.14384200

prod

1 1
 Au                 0.28319500   -0.41597700   -0.00232600
 C                  0.84812800    1.53264100   -0.12853300
 C                  0.11600100    2.53343600   -0.70469300
 C                 -0.19686000    4.21683700    0.15426600
 C                  0.69208000    3.97464600   -0.96925000
 H                  1.76638300    4.08626200   -0.77993200
 C                 -1.38253800    2.59725000   -1.00315200
 H                 -1.92218600    1.73039900   -0.59232900
 H                 -1.60556400    2.68671900   -2.08077900
 C                 -1.64486300    3.91097400   -0.19612300
 P                 -0.36103900   -2.66661800    0.17537500
 C                 -1.77584200   -2.94140800    1.32267400
 C                 -0.89651400   -3.41937300   -1.41833500
 H                  1.83418200    1.83581100    0.26141500
 C                  0.96716500   -3.78009300    0.79921100
 H                  1.29806200   -3.43203400    1.79125300
 H                  0.59245800   -4.81510100    0.87664700
 H                  1.82428100   -3.74895800    0.10729000
 H                 -1.51205600   -2.56503800    2.32446000
 H                 -2.01261400   -4.01750800    1.38382200
 H                 -2.65644700   -2.38920300    0.95591900
 H                 -1.75504000   -2.85441500   -1.81699500
 H                 -1.18598000   -4.47344500   -1.26606500
 H                 -0.06777500   -3.36530500   -2.14327800
 H                  0.37707000    4.33028900   -1.96246300
 H                 -2.09714700    4.72832500   -0.78711300
 H                 -2.25757000    3.74588600    0.70289700
 C                  0.25560500    4.60405700    1.51486400
 H                  1.34090300    4.48591200    1.65554400
 H                  0.02147800    5.68643900    1.61559400
 H                 -0.30288600    4.08120600    2.30906300

ts

1 1
 Au                 0.28399400   -0.48448200   -0.02218400
 C                  0.89860400    1.50506900   -0.11097700
 C                  0.14640800    2.54694600   -0.53749200
 C                 -0.23502700    4.55371100    0.14479600
 C                  0.68216400    4.01768100   -0.84954100
 H                  1.75058300    4.19516200   -0.66440300
 C                 -1.36075300    2.65763300   -0.74248500
 H                 -1.90932400    1.83040100   -0.26380300
 H                 -1.61932000    2.67154500   -1.81865500
 C                 -1.63093500    4.02925600   -0.05494100
 P                 -0.35898500   -2.71977700    0.13916900
 C                 -1.73866700   -3.01275100    1.32375500
 C                 -0.93206500   -3.44949400   -1.45234200
 H                  1.94215200    1.73055200    0.16945600
 C                  0.99594700   -3.82963200    0.70882900
 H                  1.34995700   -3.49318300    1.69697300
 H                  0.63628400   -4.87061300    0.77964300
 H                  1.83349900   -3.77599500   -0.00556800
 H                 -1.43891700   -2.66047100    2.32424400
 H                 -1.98209700   -4.08807000    1.36928500
 H                 -2.62614100   -2.44588300    0.99797600
 H                 -1.79675400   -2.87648000   -1.82479200
 H                 -1.22097900   -4.50521300   -1.31056200
 H                 -0.11834000   -3.38601800   -2.19326100
 H                  0.41120200    4.21772200   -1.89424500
 H                 -2.21610100    4.73922100   -0.67671300
 H                 -2.16007200    3.93512200    0.90863400
 C                  0.15563800    5.30509800    1.35274100
 H                  1.19987100    5.64864200    1.34073100
 H                 -0.53109400    6.17066600    1.45951200
 H                 -0.03168500    4.68873900    2.25563600

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

Au 0
SDD





