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

Ts

0 1
 Au                 2.43032600    2.20043800   -2.07118800
 P                  4.04879000    1.85457000   -0.49525100
 O                  3.44169400    1.91874800    1.00575400
 O                  5.29313600    2.88063600   -0.60365000
 O                  4.84726200    0.43434400   -0.36613600
 O                 -2.55725200   -0.88874300    1.41677700
 N                 -2.05364400    1.16713300    0.50355700
 H                 -2.43490900    1.97988900    0.02937300
 N                 -4.18370700    0.36917500    0.33585600
 H                 -4.30477200    1.24044400   -0.18582100
 C                  2.04247100    1.66245300    1.07782000
 C                  1.18110100    2.73503900    1.28071800
 H                  1.57505000    3.72412100    1.47991300
 C                 -0.18685500    2.51176600    1.17454000
 H                 -0.87975600    3.32678600    1.32301200
 C                 -0.68747400    1.24991100    0.81894400
 C                  0.19222700    0.16524300    0.70411100
 H                 -0.18878500   -0.81973800    0.46915400
 C                  1.56716800    0.37320900    0.83614100
 H                  2.26243100   -0.44795200    0.69306500
 C                 -2.90822300    0.12204700    0.80963100
 C                 -5.38034800   -0.26717000    0.68698400
 C                 -5.45204800   -1.52986500    1.29810900
 H                 -4.53731200   -2.05721200    1.53240400
 C                 -6.70223000   -2.07713500    1.59749800
 H                 -6.74608900   -3.05437800    2.07260900
 C                 -7.88426200   -1.39783700    1.29376000
 H                 -8.84902800   -1.83832400    1.52993900
 C                 -7.81008500   -0.13937000    0.68755500
 H                 -8.71474900    0.41418400    0.45303400
 C                 -6.57230900    0.42494300    0.39232400
 C                  6.35638600    2.80806200    0.30698800
 C                  6.42565100    3.87993800    1.23825500
 C                  7.46269300    3.85691500    2.14567500
 H                  7.56017400    4.66431200    2.86614600
 C                  8.37162700    2.76622800    2.20412900
 C                  9.37557700    2.70870500    3.20909900
 H                  9.45931000    3.53905400    3.90569900
 C                 10.20982000    1.61909600    3.31537400
 H                 10.96734700    1.58373800    4.09300600
 C                 10.06676500    0.53174300    2.42063800
 H                 10.70752800   -0.33921000    2.52503100
 C                  9.11734100    0.56444300    1.42255500
 H                  9.01376400   -0.27769400    0.74782500
 C                  8.25707900    1.68530300    1.26649800
 C                  7.25646100    1.75772300    0.23504100
 C                  7.16077500    0.77815700   -0.88976200
 C                  8.27574100    0.49123100   -1.75626800
 C                  9.53851700    1.13647300   -1.64251200
 H                  9.67869400    1.90176700   -0.88947000
 C                 10.58389700    0.80898400   -2.47850400
 H                 11.53679900    1.31920300   -2.36997700
 C                 10.42699300   -0.17777900   -3.48063100
 H                 11.26247300   -0.43263300   -4.12623600
 C                  9.20699400   -0.79138900   -3.64808200
 H                  9.06086000   -1.52640200   -4.43556700
 C                  8.10251100   -0.46274500   -2.81506200
 C                  6.81496000   -0.99679800   -3.07936200
 H                  6.68129500   -1.64426200   -3.94170500
 C                  5.71385700   -0.63440300   -2.33278900
 C                  5.94059000    0.19748300   -1.20158700
 C                  5.33032200    4.89389000    1.21639700
 C                  5.13777000    5.69506500    0.06449000
 C                  6.07697900    5.73370000   -1.01449500
 H                  7.01259100    5.19230900   -0.91566000
 C                  5.80785000    6.42778900   -2.16651700
 H                  6.53531700    6.43503800   -2.97402300
 C                  4.57926500    7.13378000   -2.32265000
 H                  4.36433600    7.64330500   -3.25775700
 C                  3.67241100    7.16171300   -1.29737600
 H                  2.72341400    7.67731500   -1.40875400
 C                  3.92692200    6.46813100   -0.07299400
 C                  3.00734700    6.49263900    0.97939600
 H                  2.09346700    7.06947200    0.87172400
 C                  3.21259400    5.75186900    2.14606300
 C                  2.24747300    5.76728800    3.20048100
 H                  1.37303700    6.39927300    3.08099900
 C                  2.40593500    4.98230100    4.31072700
 H                  1.67224900    4.99966400    5.11096000
 C                  3.53362100    4.11831900    4.41701300
 H                  3.63415600    3.47637000    5.28773900
 C                  4.48133500    4.07612700    3.42804100
 H                  5.31833200    3.39424900    3.51833100
 C                  4.38037900    4.90673800    2.26434500
 C                  4.31625900   -0.91656600   -2.77595000
 C                  3.43791200   -1.70240300   -1.99570200
 C                  3.86091800   -2.37911300   -0.80778500
 H                  4.90396700   -2.31965700   -0.51508800
 C                  2.97165900   -3.08572000   -0.03909200
 H                  3.31443400   -3.58482800    0.86292800
 C                  1.59569100   -3.17091300   -0.40599200
 H                  0.90452500   -3.72229000    0.22473200
 C                  1.15327500   -2.56008200   -1.54932700
 H                  0.10818900   -2.61712600   -1.84330000
 C                  2.05108900   -1.82098000   -2.38263500
 C                  1.60846800   -1.20964600   -3.55938300
 H                  0.56431100   -1.30114500   -3.84664100
 C                  2.47368900   -0.46029700   -4.36212600
 C                  2.00740700    0.16417200   -5.56099100
 H                  0.97515900   -0.00188700   -5.84994500
 C                  2.82687400    0.96868700   -6.30579900
 H                  2.46275200    1.43193600   -7.21914400
 C                  4.16141800    1.21385900   -5.87189100
 H                  4.79844400    1.88007900   -6.44753200
 C                  4.65324000    0.61797500   -4.73849000
 H                  5.67090700    0.82438900   -4.42970700
 C                  3.84759800   -0.27152800   -3.95084500
 H                 -6.51466000    1.41554000   -0.04897000
 S                 -1.92637000    5.03176500   -1.29309300
 O                 -5.06086800    3.72069500    0.85734100
 O                 -5.70803400    4.81816100   -1.31678100
 O                 -1.88976600    5.83025700   -2.53395300
 O                 -1.35622100    3.67015300   -1.37460700
 P                 -4.44953600    4.02977300   -0.62984600
 C                 -5.87088900    4.61458700    1.53763600
 C                 -5.35331100    5.15893200    2.74449100
 C                 -3.60501500    3.52148900    3.55740100
 C                 -4.48330600    2.39904000    3.41160400
 H                 -5.49908300    2.55895200    3.07032000
 C                 -4.05615300    1.12274400    3.66737300
 H                 -4.73022800    0.28678000    3.50666400
 C                 -2.72365600    0.87325400    4.10610600
 H                 -2.39392500   -0.14960200    4.25409000
 C                 -1.86666300    1.91938200    4.31427100
 H                 -0.84913900    1.74612000    4.65564200
 C                 -2.27642600    3.26763100    4.06706200
 C                 -1.41964500    4.34270600    4.32226300
 H                 -0.43641000    4.14408300    4.74051200
 C                 -1.78524800    5.65765100    4.02355100
 C                 -0.91537900    6.75975400    4.29875400
 H                  0.00071400    6.56835300    4.84962700
 C                 -1.22235700    8.02839400    3.88430000
 H                 -0.54574300    8.85294500    4.09223300
 C                 -2.43032800    8.26581900    3.16722000
 H                 -2.64745800    9.26416400    2.79747900
 C                 -3.32247700    7.24870200    2.94611900
 H                 -4.23632800    7.44787500    2.39916200
 C                 -3.06132000    5.91312800    3.39781700
 C                 -7.66820300    4.15427300   -0.12282900
 C                 -8.88528100    3.39082500   -0.07778700
 C                 -9.61992600    3.17080300    1.12031000
 H                 -9.25271100    3.58606800    2.05090400
 C                -10.77639000    2.42184700    1.11672900
 H                -11.31293500    2.25845600    2.04706900
 C                -11.26478000    1.85179300   -0.08414600
 H                -12.18012800    1.26690200   -0.07289400
 C                -10.56444900    2.02315700   -1.25647400
 H                -10.91126900    1.56776600   -2.18064200
 C                 -9.35680300    2.77422100   -1.28206500
 C                 -8.57961400    2.86434200   -2.46282500
 H                 -8.93201800    2.36376500   -3.36012600
 C                 -7.34553200    3.48569500   -2.48462700
 C                 -6.92841100    4.14598000   -1.29547400
 C                 -0.79357500    5.95050000   -0.11838600
 F                 -1.00704700    7.27378600   -0.18157200
 N                 -3.29428700    5.14428800   -0.49257100
 F                 -0.96294700    5.55798600    1.15057800
 F                  0.47352600    5.70386000   -0.47408400
 C                 -6.16829800    6.01373400    3.46131800
 H                 -5.80132800    6.43149000    4.39464000
 C                 -7.44731800    6.40221200    2.99321900
 C                 -8.23526600    7.34810700    3.70502300
 H                 -7.84769000    7.74739600    4.63908900
 C                 -9.45291500    7.76331200    3.21689800
 H                -10.04442300    8.49104900    3.76528700
 C                 -9.92826900    7.25186800    1.98475500
 H                -10.87795200    7.60024200    1.58814600
 C                 -9.19561000    6.32206900    1.27990800
 H                 -9.56961000    5.94647200    0.33439000
 C                 -7.94447800    5.85204500    1.76738600
 C                 -7.15230400    4.87603500    1.07242300
 C                 -3.97860600    4.84710500    3.22685300
 O                 -4.16162000    2.69858000   -1.25095800
 C                 -6.46085400    3.36740000   -3.67796800
 C                 -6.08462400    2.06854100   -4.10745100
 C                 -6.01303200    4.51061400   -4.38226400
 C                 -5.31644400    1.91905500   -5.32182800
 C                 -6.40308800    0.87513700   -3.37832700
 C                 -5.16531100    4.34489700   -5.54063300
 C                 -6.37031100    5.84563900   -4.00866500
 C                 -5.01075300    0.60610100   -5.79949000
 C                 -4.86730200    3.05745400   -5.99553500
 C                 -6.06448400   -0.36397800   -3.85427900
 H                 -6.89992800    0.95352800   -2.42021300
 C                 -4.66243100    5.50370200   -6.21196000
 C                 -5.87316500    6.93183600   -4.68070400
 H                 -7.04118700    5.99645800   -3.17098300
 C                 -5.38272200   -0.50657300   -5.09652400
 H                 -4.44873700    0.51404900   -6.72491200
 H                 -4.25921000    2.93908200   -6.88973700
 H                 -6.30397400   -1.24649700   -3.26745900
 H                 -4.00987900    5.35949500   -7.07001600
 C                 -4.99364600    6.76338900   -5.78910800
 H                 -6.14928800    7.93406400   -4.36499200
 H                 -5.12618400   -1.49686400   -5.46074600
 H                 -4.59962600    7.63662700   -6.30168100
 C                  0.48168900    5.31969600   -5.43662900
 C                  1.08288500    6.10577500   -6.61662400
 C                  0.58201600    6.23190000   -4.20023700
 O                  1.24173800    5.99355500   -3.21371700
 O                  0.57004200    6.25229400   -7.70353400
 O                 -0.10951900    7.35881400   -4.41069100
 O                  2.29567700    6.58597000   -6.28618500
 C                 -0.08677100    8.32319600   -3.33912800
 H                  0.94331300    8.62818400   -3.13211800
 H                 -0.67257800    9.16817300   -3.70050100
 H                 -0.53923300    7.89275700   -2.44720900
 C                  2.97059100    7.34591600   -7.30945500
 H                  2.37033000    8.21465100   -7.59115100
 H                  3.91551600    7.65625000   -6.86443300
 H                  3.14331200    6.72455600   -8.19199700
 C                 -0.98530300    4.90723400   -5.76913800
 H                 -1.64582100    5.75749100   -5.57946500
 H                 -1.02441100    4.68848700   -6.84025600
 C                 -1.42696800    3.71354900   -4.97244400
 H                 -1.74561400    3.89858100   -3.95317300
 C                 -1.49535700    2.46768300   -5.51270300
 H                 -1.18786400    2.35174200   -6.55365000
 C                 -1.87678900    1.23304500   -4.83924200
 C                 -2.39989300    1.20768400   -3.52986300
 C                 -1.66962800    0.00893600   -5.50649000
 C                 -2.67268400   -0.00904600   -2.90792300
 H                 -2.62204300    2.12453100   -2.99635700
 C                 -1.93524700   -1.20468100   -4.87804100
 H                 -1.29784500    0.01837000   -6.52902300
 C                 -2.42978500   -1.21567000   -3.56964200
 H                 -3.10053500   -0.00909300   -1.91299400
 H                 -1.76379000   -2.13820400   -5.40734300
 H                 -2.65108200   -2.15861100   -3.07701900
 C                  1.34521000    4.05159300   -5.22125300
 H                  1.46012300    3.51553700   -6.17061800
 H                  2.34363600    4.33924900   -4.87575300
 C                  0.78772800    3.14991900   -4.21787400
 C                  0.69462900    2.38835700   -3.21799200
 H                 -0.14225700    1.81571700   -2.82968900

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

Au 0
SDD







