%nprocshared=20
%mem=41GB
#p opt=(qst3,calcfc,noeigentest,maxstep=10) freq=noraman b3lyp genecp nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024) scrf=(pcm,solvent=dichloromethane) gfinput gfprint

sm

1 1
 C                  1.03919200    0.52154000   -1.14053900
 C                  0.40864800   -0.71088800   -1.12770700
 C                 -0.09813400   -1.69845800    0.94854000
 H                 -0.57406800   -0.87379700    1.48741800
 H                  0.15350800   -2.47465400    1.67321500
 C                  1.08233300   -1.20029300    0.10548200
 H                  1.79964900   -2.00030800   -0.11448100
 C                  1.82884900    0.20923600    0.16230800
 C                 -0.70085100   -1.61011400   -1.54235900
 H                 -0.31129400   -2.42083700   -2.16928700
 H                 -1.52761600   -1.13692400   -2.07479200
 C                 -1.11896700   -2.23567300   -0.14065600
 O                 -3.41749500   -2.54407800   -0.55473000
 O                 -1.52280300   -4.29668000    0.93247200
 C                 -4.82302900   -2.24083000   -0.40613000
 H                 -5.04157900   -1.26126000   -0.83794800
 H                 -5.34579400   -3.02277300   -0.95477500
 H                 -5.10196900   -2.25226500    0.64954800
 C                 -1.48929200   -5.73877400    1.02438900
 H                 -2.08052900   -6.17907500    0.21797500
 H                 -0.45876600   -6.09607800    0.96125800
 H                 -1.92191100   -5.97664900    1.99515200
 H                  1.22273600    1.24880300   -1.93125200
 C                 -2.56026000   -1.81233000    0.16364200
 C                 -1.03682500   -3.76816800   -0.19786000
 O                 -0.56293100   -4.41392200   -1.10870700
 O                 -2.88793700   -0.89852600    0.89694100
 H                  1.49821800    0.80137000    1.02116800
 C                  3.33083300    0.20418100    0.08965500
 C                  4.09876700    0.67617800    1.15795800
 C                  4.00515800   -0.29279200   -1.03978900
 C                  5.49601900    0.65877900    1.12205200
 H                  3.60249000    1.06763100    2.04317400
 C                  5.39217600   -0.31905500   -1.09317300
 H                  3.43616900   -0.66229400   -1.88987100
 C                  6.15074200    0.15735400   -0.01033900
 H                  6.05405400    1.03603700    1.97075300
 H                  5.91454600   -0.70107600   -1.96476700
 O                  7.50275100    0.09161300   -0.16181200
 C                  8.32586200    0.56480000    0.90162500
 H                  9.35502700    0.41718100    0.57100000
 H                  8.15511800    1.63129900    1.09580700
 H                  8.15463500   -0.00391900    1.82437800
 Au                -0.93835600    1.45333300   -0.39266000
 P                 -2.78116900    2.54958800    0.46131900
 C                 -2.76530900    4.36920200    0.25425800
 C                 -4.34943600    1.96485900   -0.27934700
 C                 -2.95816400    2.23301800    2.25525800
 H                 -2.72697200    4.61683400   -0.81012700
 H                 -3.66974900    4.79932600    0.69651700
 H                 -1.88312300    4.78632300    0.74771900
 H                 -4.34901300    2.15054900   -1.35658800
 H                 -5.19376400    2.48571400    0.18360600
 H                 -4.42893000    0.89148600   -0.09341700
 H                 -3.87202800    2.70550300    2.63033200
 H                 -3.00742900    1.15163000    2.40374900
 H                 -2.09200100    2.63302100    2.78887500

p

1 1
 C                  1.20863800   -0.90169200   -1.16908100
 C                  0.44058100   -2.10219200   -0.92035300
 C                 -0.06712500   -3.99035900    0.38426200
 H                 -0.16985500   -4.13359400    1.46377900
 H                  0.20577200   -4.96278800   -0.04893600
 C                  0.93374000   -2.91849100    0.01750400
 H                  1.94322100   -2.94111400    0.40320000
 C                  1.99445900   -0.57819100   -0.07210600
 C                 -0.92567700   -2.51857300   -1.40147400
 H                 -0.87741800   -3.08877000   -2.33624500
 H                 -1.61031800   -1.68050100   -1.56423400
 C                 -1.39163800   -3.45260600   -0.24282200
 O                 -3.38489600   -2.32212700    0.35518800
 O                 -2.73068000   -5.29699700    0.33795600
 C                 -4.18392000   -1.48212000    1.21344400
 H                 -3.71938500   -0.49888100    1.31841600
 H                 -5.15197800   -1.39937600    0.72117400
 H                 -4.28830300   -1.94028200    2.19982300
 C                 -3.58982700   -6.41642100    0.03387000
 H                 -4.49623400   -6.07013800   -0.46913200
 H                 -3.06796700   -7.13105600   -0.60732500
 H                 -3.83166800   -6.86724600    0.99563400
 H                  1.41706600   -0.52668300   -2.16892900
 C                 -2.13361800   -2.57448800    0.77295200
 C                 -2.29792200   -4.58400700   -0.71495500
 O                 -2.56729600   -4.83873900   -1.86990500
 O                 -1.65119600   -2.10906200    1.78578400
 H                  1.72794100   -0.99113700    0.89345800
 C                  3.18054900    0.26951100   -0.05954300
 C                  3.72434100    0.65448500    1.18058400
 C                  3.81122400    0.73983100   -1.23486900
 C                  4.83766100    1.48406800    1.26728000
 H                  3.25942700    0.29917600    2.09711500
 C                  4.91465600    1.56862100   -1.16451600
 H                  3.43575600    0.44510400   -2.20992200
 C                  5.43935000    1.95264200    0.08761600
 H                  5.22665700    1.75613500    2.24072600
 H                  5.40578900    1.92999700   -2.06210500
 O                  6.52065100    2.76085900    0.04209700
 C                  7.11695800    3.18531900    1.27088000
 H                  7.95710500    3.81953800    0.98699400
 H                  6.40802600    3.76320300    1.87533500
 H                  7.48228400    2.32871500    1.84923700
 Au                -0.00965900    0.83412400   -0.22869800
 P                 -1.51075500    2.50549900    0.33812100
 C                 -0.89784800    4.18608600   -0.06258600
 C                 -3.12050900    2.35692600   -0.52650800
 C                 -1.90906900    2.54001200    2.12749300
 H                 -0.70115100    4.25470600   -1.13598300
 H                 -1.64489500    4.93482700    0.22052400
 H                  0.03243600    4.37373400    0.48020000
 H                 -2.96056900    2.42135100   -1.60622600
 H                 -3.79030400    3.16235600   -0.20830100
 H                 -3.57629100    1.39087400   -0.29487800
 H                 -2.61780500    3.34794200    2.33592300
 H                 -2.34701200    1.58430300    2.42753200
 H                 -0.99151200    2.70158400    2.69996600

ts

1 1
 C                  1.08023300    0.33605000   -1.14094900
 C                  0.43673600   -0.88683100   -0.99635700
 C                 -0.14641000   -1.98046800    1.02444000
 H                 -0.59952500   -1.19644100    1.63954200
 H                  0.09500200   -2.82474000    1.67234200
 C                  1.02425700   -1.43962800    0.22622800
 H                  1.89670200   -2.07589400    0.07879200
 C                  1.91715200    0.33176300    0.13032500
 C                 -0.72616200   -1.70955900   -1.45037400
 H                 -0.37595800   -2.50779100   -2.11576000
 H                 -1.52072800   -1.16736500   -1.96688200
 C                 -1.19677300   -2.38178500   -0.09684900
 O                 -3.51900500   -2.54145300   -0.47377800
 O                 -1.72805800   -4.46510900    0.87444000
 C                 -4.89933500   -2.14779100   -0.30624000
 H                 -5.06963000   -1.17678400   -0.77713300
 H                 -5.48199100   -2.91880700   -0.80817200
 H                 -5.15254300   -2.09673400    0.75466300
 C                 -1.80666500   -5.90767300    0.88146400
 H                 -2.44716700   -6.25233400    0.06607400
 H                 -0.80935700   -6.34025500    0.77151300
 H                 -2.23658000   -6.16949600    1.84733300
 H                  1.27963400    0.90453900   -2.05047500
 C                 -2.60255900   -1.86373800    0.22493200
 C                 -1.22783800   -3.90968400   -0.23749900
 O                 -0.82450400   -4.53736300   -1.19389000
 O                 -2.85508800   -0.92354000    0.95499900
 H                  1.49180300    0.85114900    0.98765600
 C                  3.38272400    0.36014800    0.06634400
 C                  4.13891100    0.80209900    1.16433500
 C                  4.07537900   -0.07970400   -1.08075200
 C                  5.53146200    0.81894900    1.13326000
 H                  3.62757000    1.14278100    2.06155400
 C                  5.46095000   -0.06911400   -1.12684800
 H                  3.51777400   -0.43937300   -1.94154500
 C                  6.20245200    0.38075500   -0.01981400
 H                  6.07970200    1.17213000    1.99834100
 H                  5.99806800   -0.40669800   -2.00752600
 O                  7.55201300    0.35176500   -0.16439800
 C                  8.36437300    0.79038600    0.92433700
 H                  9.39615500    0.67762200    0.58909500
 H                  8.17189300    1.84280300    1.16639500
 H                  8.20094400    0.17443400    1.81719200
 Au                -0.84421200    1.37521500   -0.41315300
 P                 -2.66244700    2.52695700    0.42129900
 C                 -2.61235200    4.34054200    0.16729400
 C                 -4.25272800    1.95826100   -0.28442800
 C                 -2.83177300    2.26507500    2.22573900
 H                 -2.58037900    4.55954800   -0.90359700
 H                 -3.50249300    4.80141900    0.60757500
 H                 -1.71621500    4.75172700    0.64018200
 H                 -4.26103800    2.11044500   -1.36690700
 H                 -5.08040800    2.51096100    0.17155900
 H                 -4.35342300    0.89339600   -0.06415900
 H                 -3.72994600    2.77135100    2.59468600
 H                 -2.90741600    1.19001700    2.40700600
 H                 -1.95119400    2.65776100    2.74097800

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

Au 0
SDD




