%nprocshared=20
%mem=40000MB
#p opt=(calcfc,ts,noeigentest,maxstep=3) freq=noraman b3lyp/genecp
scrf=(solvent=toluene,pcm) nosymm # empiricaldispersion=gd3
scf=maxcyc=100

opt freq

0 1
 Au                 2.58310600    2.15911900   -2.44179000
 P                  3.97120600    1.93281500   -0.63970000
 O                  3.21796100    2.17569700    0.77038100
 O                  5.21451400    2.95667500   -0.74915700
 O                  4.75058400    0.55245900   -0.25331800
 O                 -2.78750200   -0.57746100    0.61771000
 N                 -2.31494900    1.64532400    0.19919100
 H                 -2.72500600    2.51833700   -0.11881800
 N                 -4.43472300    0.86490700   -0.13056300
 H                 -4.58023900    1.81756900   -0.46398700
 C                  1.80747400    1.99792600    0.75226500
 C                  0.99555500    3.12596300    0.78181800
 H                  1.43583100    4.10896700    0.88521400
 C                 -0.37831800    2.96668300    0.65479400
 H                 -1.01621500    3.84050900    0.67190300
 C                 -0.93922600    1.69201500    0.45371700
 C                 -0.10498100    0.56151900    0.47153200
 H                 -0.52790500   -0.42432800    0.34481600
 C                  1.27386300    0.71830000    0.62446800
 H                  1.92608200   -0.14943400    0.61163800
 C                 -3.15200100    0.54528500    0.26208100
 C                 -5.59351100    0.08390400   -0.03628000
 C                 -5.60004000   -1.29171700    0.25238600
 H                 -4.66425000   -1.80030700    0.43458200
 C                 -6.81594400   -1.97805800    0.30460600
 H                 -6.80683400   -3.04182700    0.52966900
 C                 -8.02820200   -1.32599000    0.07069900
 H                 -8.96602100   -1.87294900    0.11152100
 C                 -8.01974700    0.04421100   -0.20982100
 H                 -8.95002300    0.57553700   -0.38318700
 C                 -6.81780800    0.74445800   -0.25789100
 C                  6.22595000    2.97348900    0.21940700
 C                  6.22321700    4.10374200    1.08299600
 C                  7.24653600    4.18551900    2.00386400
 H                  7.29536500    5.04035000    2.67251700
 C                  8.19593000    3.13974800    2.15493400
 C                  9.18522200    3.20048600    3.17460000
 H                  9.23351800    4.08998500    3.79746200
 C                 10.04870700    2.14981000    3.38664000
 H                 10.79528600    2.20491900    4.17355900
 C                  9.94855700    0.98388200    2.59026800
 H                 10.61067900    0.14394000    2.78003700
 C                  9.01412500    0.90084900    1.58068900
 H                  8.94507400   -0.00142500    0.98421700
 C                  8.12781000    1.97946900    1.31213300
 C                  7.14711300    1.93963300    0.25945700
 C                  7.07865600    0.84386100   -0.75694000
 C                  8.20880700    0.46719000   -1.56640400
 C                  9.45690600    1.14823400   -1.52335600
 H                  9.57121900    2.00740100   -0.87386700
 C                 10.51857600    0.73828500   -2.30052200
 H                 11.45980400    1.27819200   -2.25034700
 C                 10.39314800   -0.37288300   -3.16832400
 H                 11.24131500   -0.69063600   -3.76768500
 C                  9.18808400   -1.02983700   -3.26661900
 H                  9.06678400   -1.86383300   -3.95303200
 C                  8.06681800   -0.61993800   -2.49381400
 C                  6.79582100   -1.21895600   -2.69314200
 H                  6.69088200   -1.98763300   -3.45380700
 C                  5.67727200   -0.78307500   -2.01433700
 C                  5.87256500    0.20771600   -1.01272800
 C                  5.06592000    5.04676100    1.02659500
 C                  4.77772900    5.75594600   -0.16525200
 C                  5.66164700    5.77174800   -1.29178600
 H                  6.63312400    5.29594400   -1.20272300
 C                  5.29475100    6.35646800   -2.47741600
 H                  5.98101900    6.34258200   -3.32013200
 C                  4.01936500    6.97934900   -2.61999800
 H                  3.72203800    7.40234000   -3.57518400
 C                  3.16609400    7.04269800   -1.54943300
 H                  2.19366300    7.51269400   -1.64883600
 C                  3.52119800    6.45465100   -0.29442400
 C                  2.64821700    6.50783100    0.79599500
 H                  1.70143100    7.02974400    0.69274500
 C                  2.94327800    5.85909800    1.99848600
 C                  2.01180700    5.88354400    3.08378200
 H                  1.09954500    6.45950200    2.95789300
 C                  2.24677300    5.16945700    4.22787800
 H                  1.53794100    5.18765000    5.05074900
 C                  3.42401200    4.37460300    4.33907800
 H                  3.58877300    3.78850900    5.23892400
 C                  4.34024000    4.32649300    3.32049600
 H                  5.21376200    3.69427600    3.42231100
 C                  4.15778600    5.08131700    2.11531500
 C                  4.28806300   -1.17231500   -2.40299800
 C                  3.42871200   -1.83370400   -1.49469000
 C                  3.86895900   -2.28746200   -0.21039600
 H                  4.91269600   -2.16459000    0.05909400
 C                  2.99642700   -2.86072300    0.67871500
 H                  3.35346700   -3.18814600    1.65101500
 C                  1.62022100   -3.03115300    0.34423500
 H                  0.94176100   -3.47338200    1.06777400
 C                  1.16182000   -2.64080700   -0.88616700
 H                  0.11663300   -2.76801000   -1.15637900
 C                  2.04223600   -2.04375400   -1.84346300
 C                  1.58125000   -1.64914200   -3.10290000
 H                  0.53635000   -1.80580300   -3.36156900
 C                  2.42685400   -1.02841400   -4.02750900
 C                  1.94140300   -0.62133900   -5.30991400
 H                  0.91454600   -0.86082400   -5.56473400
 C                  2.73416400    0.07743100   -6.18039200
 H                  2.34827700    0.39027800   -7.14649100
 C                  4.06824100    0.41053900   -5.80918200
 H                  4.68601000    0.98657300   -6.49253600
 C                  4.58270400    0.01236500   -4.60124600
 H                  5.59986100    0.28166300   -4.34387300
 C                  3.79993900   -0.74623200   -3.66648900
 C                 -0.05997600    5.91534700   -4.58087200
 C                  0.82387300    5.89935900   -5.83776100
 C                 -0.17284200    7.35840800   -4.06315900
 O                  0.42702000    7.80329800   -3.10889700
 O                  0.48637200    5.46988600   -6.92083100
 O                 -1.04358600    8.05681400   -4.80076000
 O                  2.04100700    6.40260500   -5.57411400
 C                 -1.40178600    9.35409900   -4.27570800
 H                 -0.52047200    9.99667500   -4.20950400
 H                 -2.12539000    9.75960100   -4.98218100
 H                 -1.85132600    9.22428700   -3.28926500
 C                  2.98247200    6.39235000   -6.66791400
 H                  2.60223400    6.98994100   -7.49987700
 H                  3.89727100    6.82638800   -6.26604200
 H                  3.15650700    5.36708000   -7.00393100
 C                 -1.47276200    5.36075900   -4.90281500
 H                 -2.14751700    5.65597200   -4.09651600
 H                 -1.82487300    5.83326300   -5.82254100
 C                 -1.44941200    3.87074200   -5.04983000
 H                 -0.99363000    3.47945500   -5.95594200
 C                 -2.05985600    3.05087900   -4.15511000
 H                 -2.53313900    3.50742000   -3.28674000
 C                 -2.12256800    1.59646900   -4.20022100
 C                 -2.71584600    0.93631000   -3.10910500
 C                 -1.62637200    0.81935600   -5.26771400
 C                 -2.79444000   -0.45283600   -3.06227200
 H                 -3.13133800    1.53578100   -2.31209500
 C                 -1.73001600   -0.56987600   -5.23411600
 H                 -1.18948800    1.30129300   -6.13738300
 C                 -2.30170000   -1.21151300   -4.12824500
 H                 -3.24400000   -0.93659000   -2.20017800
 H                 -1.37311100   -1.15734000   -6.07582800
 H                 -2.37422500   -2.29552800   -4.10758800
 C                  0.59608000    5.05439100   -3.46945800
 H                  1.62561300    5.38636600   -3.29649700
 H                  0.02498900    5.19654600   -2.54831400
 C                  0.62813200    3.62814300   -3.79461500
 C                  1.04221500    2.43351500   -3.84328400
 H                  0.61357500    1.52965900   -4.26344500
 H                 -6.81911000    1.81270500   -0.45140800
 S                 -2.44385100    6.18117000   -1.03230500
 O                 -5.30514500    3.96849800    0.84330900
 O                 -6.03151400    5.36545400   -1.10980800
 O                 -2.69415800    7.13855000   -2.12858100
 O                 -1.58252000    5.02297200   -1.36419500
 P                 -4.70290000    4.61538900   -0.53130200
 C                 -6.18589000    4.66725100    1.65809600
 C                 -5.69745300    5.04428300    2.93927300
 C                 -3.78960100    3.46221300    3.42853300
 C                 -4.60668900    2.30813600    3.19848300
 H                 -5.65582700    2.44110400    2.96006400
 C                 -4.08346200    1.04307000    3.25205000
 H                 -4.71694200    0.18721800    3.03764800
 C                 -2.70465500    0.83596800    3.54671800
 H                 -2.30306800   -0.17199000    3.53723500
 C                 -1.89379000    1.90676600    3.80884900
 H                 -0.83991700    1.76420700    4.03433400
 C                 -2.40421800    3.24316500    3.77611800
 C                 -1.58979100    4.33774300    4.08336500
 H                 -0.55150400    4.16333300    4.35533100
 C                 -2.07450500    5.64785800    4.03307500
 C                 -1.24993100    6.76265200    4.38736000
 H                 -0.25345500    6.56597700    4.77061100
 C                 -1.69873200    8.04927000    4.25571400
 H                 -1.05846400    8.88508600    4.52413300
 C                 -3.00761300    8.29314200    3.75025100
 H                 -3.34377300    9.31607400    3.60533100
 C                 -3.84345800    7.25252700    3.43917800
 H                 -4.83050000    7.46097100    3.04434400
 C                 -3.43213200    5.88811600    3.59921800
 C                 -7.94682800    4.37525200   -0.08676400
 C                 -9.12580300    3.56054000   -0.21479100
 C                 -9.87541100    3.09693200    0.90150900
 H                 -9.54390500    3.34645400    1.90213600
 C                -11.00340400    2.32419100    0.72923300
 H                -11.55330400    1.97551300    1.59868500
 C                -11.44496400    1.96933000   -0.56857100
 H                -12.33932000    1.36506100   -0.69012100
 C                -10.72296500    2.37092000   -1.66975900
 H                -11.03119200    2.07868000   -2.67038400
 C                 -9.54317500    3.15219300   -1.52468100
 C                 -8.74137200    3.47132200   -2.64957200
 H                 -9.04912400    3.11657900   -3.62904400
 C                 -7.54282700    4.14556000   -2.52497300
 C                 -7.19364800    4.61214000   -1.22655900
 C                 -1.45516700    7.12814000    0.23125200
 F                 -2.15956200    8.13606600    0.74500200
 N                 -3.71067000    5.82462100   -0.14853700
 F                 -1.05494400    6.31330900    1.21909000
 F                 -0.36307000    7.62590100   -0.37246800
 C                 -6.57056200    5.69233600    3.78961700
 H                 -6.22921000    5.97743900    4.78087300
 C                 -7.88066900    6.05193200    3.38528000
 C                 -8.73141000    6.80203800    4.24335400
 H                 -8.36972200    7.05941500    5.23576300
 C                 -9.97623900    7.21151500    3.82308400
 H                -10.61536900    7.79011600    4.48393700
 C                -10.41635100    6.89333300    2.51541600
 H                -11.38721200    7.24219200    2.17471400
 C                 -9.62265900    6.15225600    1.66702700
 H                 -9.97230400    5.92689000    0.66632300
 C                 -8.34206900    5.68787800    2.07777200
 C                 -7.48510000    4.90478300    1.22877600
 C                 -4.28102000    4.78633500    3.32811900
 O                 -4.22744900    3.45825400   -1.35643700
 C                 -6.60258400    4.28775400   -3.67383900
 C                 -6.10857500    3.11053600   -4.29562700
 C                 -6.17883400    5.56246200   -4.12094900
 C                 -5.23025000    3.22890300   -5.43767000
 C                 -6.40332100    1.78735500   -3.82835000
 C                 -5.21499600    5.65775200   -5.19363600
 C                 -6.65988300    6.78645600   -3.55375300
 C                 -4.79063700    2.04522300   -6.10947000
 C                 -4.79264100    4.49372900   -5.84167000
 C                 -5.93660900    0.67703400   -4.48362100
 H                 -6.98502000    1.65881100   -2.92467100
 C                 -4.72078500    6.94476300   -5.57882500
 C                 -6.16763700    8.00116000   -3.95343100
 H                 -7.42313700    6.74591400   -2.78506700
 C                 -5.14226900    0.80224600   -5.65782700
 H                 -4.14039100    2.15761200   -6.97349100
 H                 -4.09364800    4.57105900   -6.67151200
 H                 -6.15866000   -0.31027700   -4.08872900
 H                 -3.97619100    6.99614600   -6.36912000
 C                 -5.16941900    8.08438900   -4.96757300
 H                 -6.53918500    8.91218000   -3.49274300
 H                 -4.77587100   -0.08861600   -6.15861000
 H                 -4.77999100    9.05540300   -5.26097800

-Au -Ag
SDD
****
-P -C -H -Cl -N -O -S -F
6-31G*
****

-Au -Ag
SDD










