%nprocshared=20
%mem=40000MB
%chk=Rent_TS_S_chair_test5_2
#p opt=(modredundant,maxstep=3) b3lyp/genecp scrf=(solvent=toluene,pcm)
nosymm # empiricaldispersion=gd3 gfinput gfprint scf=maxcyc=100

opt freq

0 1
Au                 2.62001900    2.40940700   -2.75141400
 P                  3.83207500    2.43681500   -0.80804500
 O                  3.04887100    3.25177400    0.35106100
 O                  5.25226700    3.16774300   -1.05524500
 O                  4.29550000    1.13598400    0.07544100
 O                 -2.40072900   -0.38472300   -0.03874200
 N                 -2.31407600    1.90687600   -0.40980700
 H                 -2.86316800    2.65817100   -0.82633000
 N                 -4.30053800    0.82777200   -0.58504400
 H                 -4.60720800    1.78123900   -0.76172500
 C                  1.65064500    2.97446400    0.31292400
 C                  0.82364300    3.82216300   -0.42040000
 H                  1.21499600    4.74543800   -0.83444700
 C                 -0.49114200    3.43536300   -0.65225000
 H                 -1.13370400    4.07355700   -1.24912500
 C                 -0.98268400    2.22312200   -0.13425200
 C                 -0.15003500    1.42202100    0.65890700
 H                 -0.53478800    0.50899300    1.08195200
 C                  1.17800500    1.78870900    0.86567400
 H                  1.84792400    1.14071800    1.42136700
 C                 -2.95324400    0.68283700   -0.31116900
 C                 -5.33769600   -0.10441000   -0.49433200
 C                 -5.15086300   -1.48405800   -0.31271800
 H                 -4.14656800   -1.87508000   -0.22318600
 C                 -6.26674900   -2.32157900   -0.24053500
 H                 -6.11223700   -3.38840500   -0.09707800
 C                 -7.56447100   -1.81575900   -0.35040800
 H                 -8.42124200   -2.48127300   -0.29190400
 C                 -7.74661500   -0.44043900   -0.53078800
 H                 -8.74524700   -0.01916700   -0.60799400
 C                 -6.64591700    0.40802400   -0.59978900
 C                  6.20667900    3.24243600   -0.03496600
 C                  6.36753800    4.52468400    0.55853600
 C                  7.34644900    4.64850200    1.51976700
 H                  7.51228300    5.61255400    1.99271800
 C                  8.10141300    3.52653400    1.95803000
 C                  9.05623200    3.66073100    3.00269900
 H                  9.23274300    4.64945400    3.41875500
 C                  9.72961500    2.56531500    3.49359000
 H                 10.45224000    2.68109200    4.29625600
 C                  9.46338500    1.28063600    2.96364100
 H                  9.97469000    0.41326100    3.37156200
 C                  8.55584000    1.11726400    1.93948100
 H                  8.35829600    0.12521500    1.55105000
 C                  7.86551900    2.23008300    1.38581500
 C                  6.91660500    2.10556200    0.31035800
 C                  6.62637400    0.80857400   -0.37983000
 C                  7.64187400    0.01111800   -1.01324800
 C                  8.99257700    0.43948200   -1.13468600
 H                  9.27528800    1.41067000   -0.74588900
 C                  9.93820700   -0.35563100   -1.74447100
 H                 10.96255100   -0.00390000   -1.82883900
 C                  9.58637300   -1.62283400   -2.26768900
 H                 10.34352800   -2.24313600   -2.73863200
 C                  8.28203800   -2.05600900   -2.19433900
 H                  7.99488400   -3.01701000   -2.61366800
 C                  7.27701900   -1.25359700   -1.58817800
 C                  5.91840300   -1.67026300   -1.58642600
 H                  5.65782200   -2.62139700   -2.04280200
 C                  4.92176400   -0.87157200   -1.06922400
 C                  5.31807400    0.35422900   -0.46511400
 C                  5.39345500    5.59458500    0.18101400
 C                  5.38944000    6.11320500   -1.13484300
 C                  6.41989000    5.81534500   -2.08298300
 H                  7.26186600    5.20791300   -1.76578900
 C                  6.35759500    6.27832300   -3.37269400
 H                  7.15053300    6.03346400   -4.07423900
 C                  5.26143200    7.08059900   -3.80698700
 H                  5.21398000    7.41553000   -4.83916900
 C                  4.26473300    7.40883000   -2.92496400
 H                  3.41700400    8.01276600   -3.23311700
 C                  4.29150000    6.94143400   -1.57289200
 C                  3.25500500    7.24008400   -0.68271600
 H                  2.40442400    7.81662000   -1.03430200
 C                  3.26950600    6.77262600    0.63425000
 C                  2.20034400    7.08118500    1.53305100
 H                  1.38485000    7.70090800    1.17471200
 C                  2.18965600    6.58672100    2.80812600
 H                  1.36875800    6.82514400    3.47375700
 C                  3.24339400    5.73742500    3.25187400
 H                  3.21428800    5.33263800    4.26021600
 C                  4.28405300    5.41430300    2.42034100
 H                  5.06373000    4.74871500    2.77185200
 C                  4.35552200    5.92840200    1.08482400
 C                  3.46046400   -1.17551400   -1.16592800
 C                  2.72231300   -1.47405400    0.00317900
 C                  3.34192900   -1.63883700    1.28315100
 H                  4.42247500   -1.56880700    1.35723800
 C                  2.59433000   -1.87891200    2.40793000
 H                  3.08793800   -1.99383200    3.36917400
 C                  1.17390600   -1.98314800    2.33293100
 H                  0.60027700   -2.16889300    3.23696300
 C                  0.53974200   -1.84906200    1.12595300
 H                 -0.54289200   -1.90104900    1.04907000
 C                  1.28445100   -1.58491700   -0.06720100
 C                  0.63308300   -1.37636300   -1.28661200
 H                 -0.45362900   -1.38275100   -1.30886700
 C                  1.35175100   -1.10317100   -2.45397800
 C                  0.67773000   -0.88179900   -3.69673000
 H                 -0.40809500   -0.92303200   -3.70617100
 C                  1.37570600   -0.60939100   -4.84288500
 H                  0.84833900   -0.43716700   -5.77669800
 C                  2.79734400   -0.52347600   -4.80486800
 H                  3.34472200   -0.29243700   -5.71465400
 C                  3.48212600   -0.70665500   -3.62875100
 H                  4.56246000   -0.61604900   -3.61779500
 C                  2.79633200   -1.01541200   -2.40617000
 C                  1.31385400    6.48514200   -5.31601000
 C                  2.29134800    7.57603000   -5.79570200
 C                  0.52377600    7.03486700   -4.11188100
 O                  0.95098300    6.97663900   -2.97794000
 O                  3.19282900    7.36059600   -6.57846500
 O                 -0.61883100    7.61126700   -4.49147100
 O                  2.02236100    8.77722600   -5.26896900
 C                 -1.38687500    8.33845400   -3.49649400
 H                 -0.99999300    8.13779100   -2.50206100
 H                 -1.30522700    9.40010000   -3.74367400
 H                 -2.41700900    7.99650600   -3.56969900
 C                  2.90904200    9.85252000   -5.65092200
 H                  2.94503700    9.94486300   -6.73851600
 H                  2.48790700   10.74739400   -5.19499800
 H                  3.91279600    9.65919800   -5.26410100
 C                  0.44314200    6.04929000   -6.53189700
 H                 -0.34382900    6.78813700   -6.70330300
 H                  1.09087700    6.03355700   -7.41206700
 C                 -0.13151800    4.66907400   -6.31906000
 H                  0.09777000    3.92720100   -7.07870100
 C                 -1.06092400    4.37709700   -5.34996800
 H                 -1.34752700    5.16349400   -4.65300200
 C                 -1.69801700    3.09517500   -5.13017000
 C                 -2.54758100    2.95098600   -4.01303000
 C                 -1.44351300    1.96716300   -5.94639400
 C                 -3.10795400    1.71314900   -3.71630300
 H                 -2.77226300    3.80490200   -3.38027700
 C                 -1.99449300    0.73065000   -5.63164400
 H                 -0.80456100    2.05539200   -6.81927200
 C                 -2.82222600    0.60151800   -4.51041300
 H                 -3.78886100    1.62535900   -2.88332100
 H                 -1.78698300   -0.13022300   -6.26106600
 H                 -3.26449000   -0.36058000   -4.26767600
 C                  2.14267300    5.25975700   -4.88905600
 H                  2.92691900    5.10446500   -5.63777200
 H                  2.62325700    5.45056800   -3.92518300
 C                  1.33374600    4.02332300   -4.76958200
 C                  1.26781800    2.83909800   -4.27914600
 H                  0.49260800    2.09641200   -4.44697900
 H                 -6.79001200    1.47870800   -0.71652900
 S                 -2.88894500    6.53275500   -0.80422300
 O                 -5.28323500    3.56473900    0.78367100
 O                 -6.23049600    5.25811800   -0.81677000
 O                 -3.33804400    7.91656900   -1.02680300
 O                 -2.34015100    5.81802100   -1.98116400
 P                 -4.81985300    4.51529300   -0.46589100
 C                 -6.13909100    4.03551300    1.76707100
 C                 -5.58280200    4.16135000    3.06745800
 C                 -3.75667700    2.43689900    3.24026200
 C                 -4.65721800    1.37590500    2.90125400
 H                 -5.69364900    1.60878100    2.68352900
 C                 -4.23113300    0.07547000    2.82662000
 H                 -4.92716400   -0.70334700    2.53093300
 C                 -2.87416600   -0.26219500    3.09744400
 H                 -2.55247700   -1.29613900    3.01513300
 C                 -1.98050700    0.71631400    3.43834300
 H                 -0.93939600    0.47252600    3.63616200
 C                 -2.38158200    2.08727500    3.51394500
 C                 -1.47119500    3.09241700    3.85418800
 H                 -0.43674300    2.82423300    4.05801300
 C                 -1.85587000    4.43335700    3.92980300
 C                 -0.92443400    5.45405300    4.29677700
 H                  0.09320700    5.15444000    4.53358300
 C                 -1.29885400    6.77004300    4.33824100
 H                 -0.58431400    7.53877000    4.62124000
 C                 -2.63009600    7.14343900    3.99321100
 H                 -2.90567800    8.19415900    3.98661100
 C                 -3.55798300    6.19407000    3.65521100
 H                 -4.56065900    6.49549700    3.37585400
 C                 -3.22196600    4.80125600    3.63492100
 C                 -8.00277700    3.97244700    0.11017200
 C                 -9.13180300    3.10533100   -0.09007800
 C                 -9.77365800    2.40735200    0.96970200
 H                 -9.39716100    2.51693700    1.97947000
 C                -10.85233300    1.58447200    0.72834600
 H                -11.31931500    1.05529900    1.55418900
 C                -11.34912600    1.41186700   -0.58630200
 H                -12.20331100    0.76413500   -0.76205400
 C                -10.73258700    2.04895500   -1.63937800
 H                -11.08518600    1.90273400   -2.65736300
 C                 -9.60530600    2.88986400   -1.42660300
 C                 -8.90161100    3.45165600   -2.52207100
 H                 -9.25172000    3.24105200   -3.52856800
 C                 -7.73645600    4.17505000   -2.35215700
 C                 -7.34273800    4.45244900   -1.01056600
 C                 -1.42677300    6.71882900    0.36581700
 F                 -1.58343700    7.78652700    1.15611800
 N                 -3.87024600    5.67436300    0.10212500
 F                 -1.24368100    5.63935300    1.12255200
 F                 -0.32618500    6.91428600   -0.38865500
 C                 -6.40466200    4.62282600    4.07377300
 H                 -6.00777100    4.72180200    5.08044600
 C                 -7.74702600    5.00638300    3.82117900
 C                 -8.55847300    5.55423100    4.85206600
 H                 -8.13395800    5.65241900    5.84822600
 C                 -9.84615000    5.96696100    4.59595500
 H                -10.45447700    6.38997800    5.39046400
 C                -10.37359900    5.85488900    3.28688700
 H                -11.38165600    6.20415900    3.08098100
 C                 -9.61840500    5.31391300    2.26929500
 H                -10.03281900    5.24309800    1.27019800
 C                 -8.29214400    4.85603900    2.50311300
 C                 -7.47179100    4.28675100    1.46916800
 C                 -4.15815000    3.79206700    3.31598600
 O                 -4.36766400    3.56436300   -1.53380300
 C                 -6.85652300    4.53242800   -3.50346700
 C                 -6.38232300    3.48984500   -4.34558600
 C                 -6.44724300    5.86937700   -3.73194500
 C                 -5.53037800    3.81698600   -5.46789600
 C                 -6.67459300    2.10125200   -4.13477700
 C                 -5.49702700    6.15688200   -4.78201700
 C                 -6.93035000    6.97472500   -2.96041600
 C                 -5.13505900    2.78619500   -6.37708300
 C                 -5.08647900    5.13098000   -5.63565300
 C                 -6.26534700    1.13953300   -5.02223000
 H                 -7.21685700    1.79858000   -3.24797200
 C                 -5.00708100    7.49216500   -4.93899200
 C                 -6.44327400    8.24181500   -3.14379200
 H                 -7.68784300    6.79746200   -2.20604000
 C                 -5.51054000    1.48601300   -6.17868900
 H                 -4.51112600    3.06096900   -7.22394000
 H                 -4.40022600    5.35889600   -6.44906200
 H                 -6.50239500    0.09700200   -4.82791100
 H                 -4.27050800    7.68165300   -5.71664300
 C                 -5.45179400    8.50506700   -4.13272700
 H                 -6.81078000    9.05587900   -2.52601000
 H                 -5.19821700    0.71081800   -6.87246100
 H                 -5.06448300    9.51323700   -4.25021500

144 126 F
144 128 F

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

Au 0
SDD

--link1--
%nproc=20
%Mem=40000MB
%Chk=Rent_TS_S_chair_test5_2
#p geom=checkpoint guess=read SCRF=(PCM,Solvent=toluene) b3lyp/genecp opt=(ts,noeigentest,calcfc,modredundant,maxstep=3) EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

0 1

144 126 A
144 128 A

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

Au 0
SDD







