%nprocshared=20
%mem=28GB
# opt=(maxstep=3) freq=noraman b3lyp/genecp scrf=(solvent=ethanol,smd) empiricaldispersion=gd3

IM-3-78-Less-TS1-S-3-AF

1 1
 Au                -3.03392300   -0.30286400   -0.81237900
 C                 -4.31796800    2.04030600    1.32499700
 O                 -5.39136700    1.46416600    0.63633500
 P                 -5.11597500    0.59362600   -0.74050700
 Cl                -0.76463200   -0.93939000   -0.89472100
 Au                 3.09108200   -0.15335200    0.72755500
 C                 -3.79331600    3.28025400    0.93257200
 O                 -2.35606300    1.24094400    4.33232500
 C                 -2.76170000    3.80105400    1.72069600
 H                 -2.33660700    4.76039000    1.45105900
 O                 -3.35429200   -1.27274100    4.09077700
 C                 -2.80068900    1.89814200    3.17139100
 O                  0.39388800    1.54902200    4.65646700
 C                 -2.25790600    3.14837700    2.85275200
 O                  1.97981200   -0.68250900    4.36088100
 O                  1.31112500    1.95133600   -4.33488000
 C                 -2.13215300   -1.17283000    4.16338200
 O                  4.32332800    2.61391500   -0.66886000
 C                 -1.49894000    0.18096900    4.22843800
 O                  4.14920200    2.73126000    1.91248800
 C                 -3.83334700    1.34073400    2.42512200
 H                 -4.26290500    0.38618900    2.69887000
 C                 -1.24464500   -2.35896200    4.23912300
 O                  2.73127900   -0.35864200   -4.18093000
 N                 -6.48751000   -0.29531300   -0.87812000
 N                  6.11440400    1.49715700    0.74476900
 C                  0.41564400   -4.60247400    4.42347700
 H                  1.05928000   -5.47376900    4.49266800
 O                 -5.28045300    1.78385300   -1.89425200
 C                 -0.97348100   -4.75790000    4.39167800
 H                 -1.41078200   -5.75023300    4.43844000
 O                 -1.44512400    1.78867200   -4.74551800
 C                 -1.80215900   -3.63965500    4.28947000
 H                 -2.88030900   -3.74928600    4.25793500
 O                 -2.60839200   -0.70376800   -4.66140700
 C                  0.98008100   -3.32713800    4.36767400
 H                  2.05456700   -3.19281600    4.39578900
 C                  0.15354600   -2.20073400    4.29154900
 C                  0.76201300   -0.84609900    4.32417500
 C                 -0.15713700    0.33360100    4.35754100
 C                 -1.16658400    3.76788500    3.71730000
 H                 -1.22842300    3.28436800    4.69326800
 C                 -1.36960000    5.27545600    3.94486100
 H                 -1.33269700    5.85769400    3.02022400
 H                 -0.59252900    5.66024000    4.61263800
 C                  0.95237000    2.35916600    3.65328000
 C                  0.80111000    4.21394200    2.14749500
 H                  0.22450900    5.02554300    1.71820600
 C                  0.21388300    3.44210400    3.15853800
 C                  2.09432400    3.98089300    1.67015700
 C                  2.81818200    2.95092400    2.28179400
 C                  2.26469300    2.12923300    3.25532300
 H                  2.83721500    1.32082600    3.68691100
 C                  7.06243600    2.14235800   -0.22514900
 H                  6.43931800    2.65138300   -0.95806200
 C                  7.82572000    1.05415200   -0.97217200
 C                  9.10936700   -1.04522900   -2.33744100
 H                  9.60380400   -1.85633800   -2.86584500
 C                  9.78971400   -0.32795100   -1.35380100
 H                 10.81789400   -0.57830500   -1.10887100
 C                  9.15213600    0.71986400   -0.67923800
 H                  9.70186900    1.27091100    0.07762600
 C                  7.78630000   -0.70875300   -2.64711500
 H                  7.25565700   -1.25470900   -3.42134600
 C                  7.92998800    3.20946700    0.44224300
 H                  8.56755000    3.68536400   -0.31046600
 H                  8.58019000    2.80594000    1.22276800
 H                  7.29246600    3.97769500    0.88999400
 C                  7.15119100    0.32813600   -1.96555900
 H                  6.11779000    0.57524700   -2.19895000
 C                  6.72216100    0.76285200    1.90616000
 H                  7.76382500    0.62386900    1.60605000
 C                  6.14798400   -0.64406600    2.07105600
 C                  5.37700700   -1.01783600    3.17972900
 H                  5.14785800   -0.29900700    3.95803400
 C                  4.88753200   -2.32304600    3.29997900
 H                  4.29338200   -2.59181500    4.16873600
 C                  5.16123800   -3.27096200    2.31415700
 C                  5.93251900   -2.90811400    1.20480800
 H                  6.15107100   -3.63707400    0.43055900
 C                  6.42011600   -1.60822000    1.08549000
 H                  7.01907300   -1.33410800    0.22259000
 C                  6.72520700    1.59021000    3.19699600
 H                  7.31492300    1.07475700    3.96201900
 H                  5.71989000    1.75330400    3.58896800
 H                  7.17410700    2.56875600    3.01861600
 C                  2.69593300    4.74449200    0.49212500
 H                  3.78308900    4.68822900    0.59370000
 P                  4.47223400    1.68257400    0.67071700
 C                  2.32572600    6.23374800    0.47920400
 C                  3.10055700    2.93172600   -1.27246700
 C                  2.33112300    4.00656300   -0.79740000
 C                  1.20272100    4.34934900   -1.54783600
 H                  0.59443300    5.18201000   -1.21622300
 C                  0.83251000    3.68884500   -2.72498700
 C                  1.61474000    2.59807900   -3.12388300
 C                  2.75394800    2.21966000   -2.41603700
 H                  3.37412800    1.40785300   -2.76968000
 C                  0.65204000    0.75168400   -4.32005400
 C                  1.51187900   -0.47234600   -4.28843300
 C                  0.84857500   -1.79130400   -4.42110900
 C                  1.62120700   -2.95511700   -4.47149100
 H                  2.69986300   -2.87708400   -4.42277300
 C                  1.00191000   -4.19993200   -4.58574300
 H                  1.60718700   -5.10034100   -4.62152100
 C                 -0.39207600   -4.28768700   -4.64583500
 H                 -0.87366600   -5.25734400   -4.72596300
 C                 -1.16893100   -3.12914000   -4.60963200
 H                 -2.25040300   -3.18342200   -4.67295800
 C                 -0.55346700   -1.87833000   -4.50626100
 C                 -1.38575100   -0.65150500   -4.54705400
 C                 -0.69047000    0.67303000   -4.49365700
 C                 -0.35312500    4.15539700   -3.55966500
 H                 -0.18849700    3.77818300   -4.56972300
 C                 -0.44597100    5.68754000   -3.66054000
 H                 -1.26598000    5.96647400   -4.32946400
 H                 -0.62475600    6.17216100   -2.69700600
 C                 -2.17040900    2.38775200   -3.69995800
 C                 -1.65215400    3.52578000   -3.06962400
 C                 -2.37937500    4.05325400   -1.99364400
 H                 -1.97184600    4.90835500   -1.46648100
 C                 -3.59307000    3.50858200   -1.55403700
 C                 -4.09463700    2.42325200   -2.28123000
 C                 -3.40818900    1.86653200   -3.35355600
 H                 -3.80478900    1.00388400   -3.86787600
 C                 -6.41203400   -1.70703800   -1.35694900
 H                 -7.43553400   -2.07918700   -1.25168900
 C                 -5.54324700   -2.56247000   -0.43242300
 C                 -5.67640500   -2.43071500    0.95948600
 H                 -6.37916100   -1.71045600    1.36395600
 C                 -4.90503000   -3.20011500    1.82954400
 H                 -5.01483800   -3.06999200    2.90159900
 C                 -3.98419600   -4.12269700    1.32381700
 H                 -3.37788900   -4.71689400    1.99908900
 C                 -3.85207600   -4.27070400   -0.05697600
 C                 -4.62421600   -3.49647800   -0.92882500
 H                 -4.48935000   -3.62253700   -1.99718300
 C                 -6.03548400   -1.77996900   -2.84115600
 H                 -6.17341400   -2.79317000   -3.22972900
 H                 -4.99315400   -1.48817300   -3.00465000
 H                 -6.67277400   -1.10610300   -3.41844300
 C                 -7.82873700    0.35662700   -0.70807900
 H                 -7.61786000    1.38984600   -0.42140900
 C                 -8.56148500   -0.28833200    0.46190200
 C                 -9.50679500   -1.30726700    0.29082500
 H                 -9.79120900   -1.62838200   -0.70616500
 C                -10.09842600   -1.92251500    1.39893700
 H                -10.82690900   -2.71459900    1.24821400
 C                 -9.75741200   -1.52209400    2.69155400
 H                -10.21755900   -2.00086400    3.55155000
 C                 -8.82373000   -0.49639500    2.87272700
 H                 -8.55644300   -0.17255400    3.87503100
 C                 -8.23210800    0.11280200    1.76654700
 H                 -7.49501600    0.89775000    1.90921000
 C                 -8.60947600    0.40334900   -2.02301700
 H                 -9.56685400    0.90920000   -1.86271900
 H                 -8.81781300   -0.59027800   -2.42795700
 H                 -8.04123000    0.96521800   -2.76930500
 C                 -4.32290200    4.00835300   -0.30602200
 H                 -5.37078800    3.71478100   -0.41560100
 C                 -4.29467200    5.53750400   -0.16885300
 H                 -3.28264400    5.94075800   -0.07537600
 H                 -4.85880800    5.84647100    0.71630400
 H                  2.67735900    6.70725200    1.40117400
 H                  2.80370900    6.73384400   -0.36854300
 H                  1.24965300    6.41035800    0.40770500
 H                 -4.75422600    5.99729900   -1.04903300
 H                  0.48469100    6.09287500   -4.06989100
 H                 -2.34345900    5.45421800    4.41034600
 C                  1.90365200   -1.91062300    0.84039400
 H                  1.02722600   -1.89454500    1.47091300
 C                  2.46625000   -2.76983800    0.10121500
 C                  3.35179300   -3.29214800   -0.89481000
 C                  3.73216700   -4.65030700   -0.90089300
 C                  3.87561100   -2.40238600   -1.85694500
 C                  3.13953600   -5.60926200    0.11528600
 C                  4.65362600   -5.08249400   -1.85764400
 C                  4.79980700   -2.85313400   -2.79064600
 H                  3.55445400   -1.36675900   -1.85194400
 C                  5.19412100   -4.19588500   -2.78978400
 H                  4.94346200   -6.12966300   -1.87221100
 H                  5.18472500   -2.16424300   -3.53605800
 H                  5.90567500   -4.55423500   -3.52791200
 H                  3.89679100   -5.81906300    0.87895700
 C                  1.89796200   -5.06073300    0.77480900
 C                  0.70271300   -4.89019000    0.15784500
 H                  1.96768000   -4.81594300    1.83222800
 H                  2.93851200   -6.56559700   -0.38309400
 H                  4.77897200   -4.28321400    2.40861400
 C                 -0.47282600   -4.32202100    0.89707400
 H                 -0.96256000   -3.54251800    0.30362300
 H                 -1.21587100   -5.10774000    1.07654400
 H                 -0.18865900   -3.90066700    1.85994800
 C                  0.44853900   -5.21937600   -1.28412100
 H                 -0.44150400   -5.85659500   -1.37314200
 H                  0.22505200   -4.30194200   -1.83885300
 H                  1.28137500   -5.72226900   -1.77936500
 H                 -3.13869300   -4.98071400   -0.46559300

-Au
SDD
****
-C -H -P -N -O -Cl
6-31G(d,p)
****

-Au
SDD



