%nprocshared=20
%mem=41GB
#p opt=(qst3,calcfc,noeigentest,maxstep=5) freq=noraman b3lyp genecp nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024) scrf=(pcm,solvent=dichloromethane) gfinput gfprint

sm

1 1
 C                  2.63463800    1.77462200   -0.03309300
 C                  1.97977000    0.58560400    0.33430800
 C                  2.71990000   -0.59338500    0.48833300
 C                  4.73576800    0.60969200   -0.14385000
 H                  2.23509700   -1.51138000    0.80604600
 H                  5.80710900    0.61162200   -0.32330200
 C                  0.52807400    0.84373000    0.49613300
 C                 -0.44271700   -0.09346600    0.41438100
 C                  1.67030100    2.93267800   -0.13122800
 H                  1.43932000    3.16711500   -1.17583200
 H                  2.05326600    3.84534000    0.32961000
 C                 -0.58287900    2.23441500    2.93146000
 H                 -0.45944200    2.76288000    3.88090700
 H                 -1.66749000    2.17655000    2.73341800
 H                 -0.22228000    1.20375700    2.97667400
 C                  0.10086400    4.45882400    1.95051600
 H                 -0.73818900    4.85138700    2.53402800
 H                  1.00946900    4.66164000    2.54326600
 H                  0.19397500    4.98045200    0.99619300
 P                 -0.21477000   -4.45118800   -0.20132100
 C                 -1.14087000   -5.44592800    1.03432700
 H                 -1.03521700   -6.51468900    0.82126400
 H                 -0.75178600   -5.23421600    2.03436600
 H                 -2.19907400   -5.17115900    1.00425200
 C                  1.49516200   -5.11876300   -0.13927700
 H                  1.48815900   -6.19998800   -0.31180800
 H                  2.10334200   -4.63101500   -0.90637900
 H                  1.93249700   -4.90935400    0.84106300
 C                 -0.86321000   -5.01144400   -1.82621400
 H                 -1.91777800   -4.73503000   -1.91248700
 H                 -0.30492500   -4.52100400   -2.62872500
 H                 -0.76116200   -6.09733900   -1.92323900
 Au                -0.33479200   -2.13789100    0.13916200
 C                  4.09485100   -0.57306000    0.24642400
 H                  4.67412000   -1.48343700    0.37359300
 C                  4.00388000    1.79307200   -0.28443300
 H                  4.49815300    2.71654200   -0.57466300
 Br                -2.32405700    0.55609200    0.48652000
 C                  0.01236900    2.98674700    1.81622900
 C                  0.39941600    2.36101800    0.57915800
 H                 -0.51241200    2.73894400   -0.04035200
 O                 -1.48686400    3.61403200   -1.14277400
 H                 -0.86624800    4.35644100   -1.34552000
 C                 -1.88337100    2.97066400   -2.37348900
 O                  0.18325500    5.75940500   -1.27886700
 H                 -2.71615000    2.32226100   -2.08419800
 H                  0.91942900    5.75013200   -1.91323400
 C                 -0.58449700    6.98000100   -1.47043700
 H                 -1.02478800    6.95359800   -2.47734900
 C                 -2.36835400    4.02297700   -3.36874900
 H                 -1.54329600    4.68634700   -3.65853600
 H                 -2.75418800    3.54786100   -4.27700600
 H                 -3.16363900    4.63203600   -2.92722100
 C                 -0.74947500    2.10886800   -2.92775500
 H                 -0.43338700    1.36618600   -2.18805300
 H                 -1.07416600    1.57939600   -3.83049600
 H                  0.11470100    2.73119900   -3.19322700
 C                 -1.69844600    6.95130400   -0.43282300
 H                 -1.28125600    7.01981500    0.57829600
 H                 -2.37401600    7.79874400   -0.58510400
 H                 -2.27417000    6.02423200   -0.51099200
 C                  0.32538300    8.19553800   -1.33580200
 H                  1.12242900    8.18014900   -2.08861600
 H                 -0.24867800    9.11815900   -1.47333600
 H                  0.78499600    8.21477800   -0.34131600

p

1 1
 C                 -0.94537700   -1.41229900    1.28077300
 C                 -1.62992300   -2.58924600    1.63038000
 C                 -0.94937700   -3.81414400    1.60594500
 C                  1.05861700   -2.67145900    0.85135700
 H                 -1.45524400   -4.72894600    1.89875400
 H                  2.10251000   -2.71061500    0.55370100
 C                 -3.02946300   -2.27748000    1.99934300
 C                 -4.02893800   -3.17397000    2.15078500
 C                 -1.82229200   -0.18971700    1.37022200
 H                 -2.07997500    0.22010600    0.38904700
 H                 -1.35815400    0.61866400    1.94213800
 C                 -3.70213232   -0.88876271    4.53067848
 H                 -3.51538123   -0.34794293    5.45970180
 H                 -4.78623220   -1.08328409    4.45167042
 H                 -3.23555346   -1.88060552    4.52193337
 C                 -3.16616772    1.33555615    3.43819077
 H                 -4.13307441    1.75867169    3.75539379
 H                 -2.47408503    1.56431623    4.26016121
 H                 -2.83751850    1.80475931    2.50983849
 P                 -4.23194700   -7.52777600    1.51498500
 C                 -5.21602400   -8.43892100    2.77025900
 H                 -5.22821300   -9.50990200    2.54241900
 H                 -4.77705200   -8.28258800    3.75977900
 H                 -6.24070500   -8.05649700    2.77680900
 C                 -2.59568500   -8.36235500    1.51524900
 H                 -2.71254600   -9.43600800    1.33458900
 H                 -1.96631300   -7.92818300    0.73306900
 H                 -2.10984200   -8.20707100    2.48282100
 C                 -4.98695300   -7.99762600   -0.09185500
 H                 -6.00736500   -7.60710000   -0.14115300
 H                 -4.40484800   -7.56126500   -0.90853100
 H                 -5.00781800   -9.08695900   -0.19999200
 Au                -4.09884400   -5.21689800    1.87075800
 C                  0.38906000   -3.84766100    1.21292100
 H                  0.91881400   -4.79610300    1.19713000
 C                  0.39064100   -1.44413900    0.88743300
 H                  0.90732300   -0.52667500    0.61830700
 Br                -5.81291800   -2.40938500    2.61937000
 C                 -3.33785599   -0.12459175    3.33125964
 C                 -3.15445526   -0.75199740    2.02584604
 H                 -3.96081982   -0.42235846    1.37070151
 O                 -4.85663600    0.13080600   -0.19657300
 H                 -4.42749000    1.01535400   -0.22633400
 C                 -4.46939500   -0.61737400   -1.36335900
 O                 -3.68201300    2.58055500    0.18161800
 H                 -3.38148500   -0.79543800   -1.33327700
 H                 -2.98291800    2.90951600   -0.40934800
 C                 -4.71249900    3.60010900    0.28409700
 H                 -5.44173100    3.14974800    0.96601800
 C                 -4.80411900    0.17012700   -2.62729400
 H                 -4.29728000    1.14060300   -2.62220400
 H                 -4.48860600   -0.37256200   -3.52382400
 H                 -5.88302500    0.34644200   -2.68763000
 C                 -5.18802600   -1.95640100   -1.28612900
 H                 -4.93901500   -2.57616900   -2.15297100
 H                 -4.90167400   -2.49369000   -0.37711900
 H                 -6.27181200   -1.80239400   -1.26877800
 C                 -4.13572200    4.86348500    0.90932500
 H                 -3.37197600    5.30240500    0.25730700
 H                 -4.91848500    5.61289400    1.05948900
 H                 -3.67780500    4.64053400    1.87669800
 C                 -5.36375200    3.83362400   -1.07306700
 H                 -5.76730800    2.89813200   -1.46882200
 H                 -6.18037900    4.55707100   -0.99128900
 H                 -4.63478900    4.22962800   -1.78941000

ts

1 1
 C                  2.55559622    1.78439363   -0.18453505
 C                  1.87693322    0.62170163    0.22035995
 C                  2.58160622   -0.58215937    0.34362995
 C                  4.60515722    0.54399763   -0.39696005
 H                  2.08167222   -1.48051037    0.69230695
 H                  5.66526122    0.50635363   -0.63104605
 C                  0.44378522    0.93482863    0.46030295
 C                 -0.55538178    0.02371163    0.42034395
 C                  1.63224122    2.97897863   -0.22364305
 H                  1.36910322    3.23752063   -1.25653205
 H                  2.07763622    3.86809063    0.22759295
 C                 -0.39867902    2.34812629    2.99792625
 H                 -0.10742454    2.94553255    3.86998938
 H                 -1.49064661    2.23333437    3.04963158
 H                  0.05099794    1.35532228    3.03735864
 C                 -0.23920637    4.56882986    1.80618994
 H                 -1.08401141    4.83007405    2.45099261
 H                  0.65914806    5.00633112    2.26905006
 H                 -0.36514631    5.01995865    0.81999353
 P                 -0.44310078   -4.33576137   -0.22075305
 C                 -1.39192478   -5.32121137    1.00501395
 H                 -1.30335278   -6.39047737    0.78650495
 H                 -1.00431678   -5.12161737    2.00808095
 H                 -2.44513778   -5.02829737    0.97131595
 C                  1.25421522   -5.03466937   -0.15664505
 H                  1.22947222   -6.11416737   -0.33794905
 H                  1.87450322   -4.55133737   -0.91687005
 H                  1.69051922   -4.84052537    0.82730195
 C                 -1.09544778   -4.87503337   -1.85132805
 H                 -2.14412378   -4.57789237   -1.94068705
 H                 -0.52425678   -4.39141837   -2.64888405
 H                 -1.01414278   -5.96222337   -1.95367605
 Au                -0.50812078   -2.02247137    0.13278795
 C                  3.94234322   -0.61302237    0.03142895
 H                  4.49378522   -1.54358037    0.13431995
 C                  3.91030822    1.75285963   -0.50402605
 H                  4.42258822    2.65777763   -0.82045105
 Br                -2.42379178    0.70428663    0.57338195
 C                 -0.04236030    3.08947995    1.76319176
 C                  0.40167773    2.47103641    0.52915051
 H                 -0.46719722    2.83937637   -0.04835695
 O                 -1.32262000    3.46879900   -1.12230300
 H                 -0.84984000    4.33021200   -1.30328900
 C                 -1.38260100    2.69494500   -2.33724800
 O                  0.03411000    5.74265400   -1.34962100
 H                 -1.89549000    1.76412400   -2.09664100
 H                  0.70525400    5.79008500   -2.04964500
 C                 -0.77817500    6.93092300   -1.39175600
 H                 -1.51895400    6.82378600   -0.59749300
 C                  0.02566660    2.38464117   -2.87770512
 H                 -0.05278434    1.74107003   -3.72891698
 H                  0.50706509    3.29658307   -3.16321777
 H                  0.60119031    1.90066979   -2.11649282
 C                 -2.18572702    3.47303328   -3.39609984
 H                 -2.28528665    2.87571592   -4.27825620
 H                 -3.15662478    3.70286638   -3.00953252
 H                 -1.67328550    4.38113713   -3.63620625
 C                 -1.49862230    7.07070528   -2.74564544
 H                 -2.15706510    7.91352683   -2.71394515
 H                 -0.77549892    7.21201373   -3.52154782
 H                 -2.06387320    6.18369665   -2.94213235
 C                  0.07756695    8.18296186   -1.12397919
 H                 -0.55398599    9.04602638   -1.08991278
 H                  0.58465119    8.07489422   -0.18798402
 H                  0.79660936    8.29788770   -1.90798815

C H P O 0
6-31G*
****
Br 0
LANL2DZ
D 1 1.0
0.428 1.0
****
Au 0
SDD
****

Br 0
LANL2DZ
Au 0
SDD




