%nproc=20
%Mem=40000MB
%Chk=IE14_TSInt1a-2a_adam2
#p SCRF=(PCM,Solvent=dichloroethane) BP86/genecp opt=(modredundant) temperature=294.15 EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 Au                 0.12177300    6.91543900    7.22536900
 C                 -2.57842100    4.77546500    7.60286200
 C                 -3.49998600    4.41096500    8.60585200
 C                 -4.88335100    4.49759200    8.38815800
 C                 -5.38298400    4.93492200    7.15199400
 C                 -4.48041800    5.23458200    6.12460000
 C                 -3.08646700    5.14667600    6.32088100
 C                 -2.19405800    5.46653000    5.16893400
 C                 -1.69584000    4.45722500    4.31731200
 C                 -0.74807900    4.76112500    3.33511700
 C                 -0.30304800    6.09238800    3.15356100
 C                 -0.87608500    7.11445900    3.93552100
 C                 -1.80106400    6.79489000    4.93669700
 C                  1.39700400    7.63703300    2.19276700
 C                  2.33909100    7.50509600    0.95519300
 C                  1.66530500    6.43332900    0.04389400
 C                  0.32806500    6.09896500    0.73737600
 C                  2.12573200    7.90423600    3.49726100
 C                  2.31380200    9.23572200    3.90110200
 C                  3.02396700    9.53577700    5.07412300
 C                  3.57916400    8.50971000    5.84739000
 C                  3.38600700    7.17632800    5.44928400
 C                  2.65823500    6.86728500    4.28849000
 C                  3.26895000   10.97637700    5.45338100
 C                  4.00706400    6.09151700    6.29537400
 C                 -0.86103200    6.99564900    0.37234000
 C                 -2.13556000    6.68112900    0.89390100
 C                 -3.19123000    7.60154000    0.82019100
 C                 -3.02850100    8.82718800    0.15941300
 C                 -1.77914900    9.12687000   -0.39712500
 C                 -0.70156000    8.23316000   -0.27647500
 C                 -4.46415900    7.29495000    1.57097200
 C                 -1.52604900   10.45369300   -1.06822600
 P                 -0.75136700    4.88972000    8.01255200
 N                  0.68268900    6.35081600    2.17413600
 F                  2.26725200   11.79340500    5.00537300
 F                  4.42952400   11.44543800    4.90465500
 F                  3.36959000   11.14231400    6.79951500
 F                  5.29756000    6.38414000    6.61451900
 F                  3.99612300    4.87525300    5.68423600
 F                  3.34725600    5.93413200    7.49960200
 F                 -4.25360300    7.34981100    2.92819000
 F                 -4.92977400    6.04242100    1.30441800
 F                 -5.46230500    8.18105300    1.29325400
 F                 -0.56859700   11.16719800   -0.39018300
 F                 -1.06970200   10.30520900   -2.34243400
 F                 -2.64217700   11.23760100   -1.11595700
 H                  0.70160000    8.49078000    2.01515800
 H                  3.33782600    7.16957600    1.27880800
 H                  2.46075700    8.48296100    0.46135900
 H                  2.28079500    5.52053600    0.01172200
 H                  1.52695900    6.76964300   -0.99619700
 H                  0.04701300    5.03992700    0.61589500
 H                 -3.15990200    4.06229400    9.58396300
 H                 -6.46110900    5.02565700    6.99243000
 H                 -4.84444300    5.56173700    5.14493200
 H                 -2.03668600    3.42369800    4.44377900
 H                 -0.33921300    3.96532500    2.70402800
 H                 -2.24688900    7.58749400    5.53587300
 H                 -0.60488400    8.16117200    3.78194500
 H                  1.90055100   10.04720900    3.29466500
 H                  2.50849700    5.82723100    3.98562700
 H                  4.14839200    8.74538200    6.74919100
 H                 -3.85412100    9.53768600    0.09104900
 H                  0.26851000    8.52203700   -0.69088200
 H                 -2.29928300    5.72640000    1.40088600
 C                 -0.50648000    9.69989000    7.08682700
 C                  0.50294300    8.95477700    7.47414900
 C                 -5.82422800    4.25176800    9.54141000
 F                 -5.32501200    3.34514800   10.42975700
 F                 -7.04071700    3.80194900    9.12667000
 F                 -6.04366800    5.41097100   10.23979200
 C                  1.40455700    9.47916500    8.50385100
 C                  2.53569700    8.83674800    9.03437700
 C                  3.27833100    9.46078600   10.04936600
 H                  2.81868400    7.85457800    8.64900300
 C                  2.88662000   10.71323000   10.55470700
 H                  4.16577400    8.96276000   10.45335800
 H                  3.46733400   11.19090300   11.35007000
 C                  1.00561300   10.72791900    9.04558200
 C                  1.73298800   11.35247600   10.06432000
 H                  1.39908100   12.30903800   10.47645100
 C                 -1.78108000    9.79276300    6.47242400
 C                 -2.98832417    9.54769570    7.21753505
 C                 -1.85192304   10.28611096    5.14269866
 C                 -2.95757464    9.06261907    8.55324397
 C                 -4.25504845    9.85089741    6.60959531
 C                 -3.11223744   10.58022418    4.55484162
 C                 -4.14022092    8.86551818    9.25555094
 H                 -1.99028952    8.82308134    9.00191983
 C                 -5.45030886    9.62193645    7.34887078
 C                 -4.27531523   10.36927662    5.28247829
 H                 -3.17165701   10.98836070    3.54370500
 C                 -5.39495415    9.12527782    8.64295405
 H                 -4.11230186    8.48647285   10.28242952
 H                 -6.41220795    9.85480341    6.87957939
 H                 -5.24218306   10.61641833    4.83134772
 H                 -6.31646232    8.93129771    9.19465780
 O                 -0.66093188   10.49791630    4.52542997
 C                 -0.64801887   11.29351912    3.31887488
 H                 -1.14297256   12.26535717    3.48717840
 H                  0.41537737   11.45367947    3.09412307
 H                 -1.12638883   10.75669987    2.48091688
 N                 -0.21350200   11.23717000    8.46061400
 H                 -1.03869500   11.05897100    9.05842700
 O                 -0.46973200   13.71715900    9.31215200
 O                  1.03815800   13.20728900    7.27930200
 C                 -5.06322900   13.21985600    4.38284300
 H                 -5.71751200   14.08110000    4.61400600
 H                 -4.76562000   13.28832200    3.32396300
 H                 -5.66826500   12.30500400    4.51298100
 S                 -0.20396500   12.98992800    8.04530200
 C                 -1.63093300   13.08099400    6.98422700
 C                 -2.89686500   12.74671500    7.50103800
 H                 -3.02302600   12.44929600    8.54670000
 C                 -3.99827800   12.79026400    6.64202100
 H                 -4.98335600   12.49526900    7.01816700
 C                 -3.85956100   13.19697100    5.29457900
 C                 -2.58386500   13.56504400    4.82547200
 H                 -2.45861100   13.86542500    3.78070000
 C                 -1.45609800   13.49140500    5.65493400
 H                 -0.45747100   13.72476000    5.27701800
 C                 -0.81595200    5.16481400    9.91227500
 H                 -1.84577000    5.56821900    9.94729100
 C                  0.07349600    6.33021500   10.44355000
 C                 -0.74570100    3.98319400   10.91971200
 H                  0.06334500    7.16614400    9.72066900
 C                  1.52241300    5.87587000   10.69728800
 C                 -0.56126000    6.82130400   11.76956300
 H                 -1.32043800    3.11606500   10.54105800
 C                  0.71335600    3.55868700   11.21466000
 C                 -1.38096500    4.47990300   12.24831900
 H                  2.11960300    6.74114000   11.04315700
 H                  1.98323600    5.52934200    9.75040800
 C                  1.53065800    4.74984700   11.75721100
 H                 -1.59104600    7.18761800   11.58614800
 H                  0.02368100    7.68055600   12.15175200
 C                 -0.57172900    5.67752800   12.80738800
 H                  1.20125700    3.17270200   10.30803300
 H                  0.70297800    2.72967800   11.94842400
 H                 -2.43655800    4.77417200   12.08211600
 H                 -1.38633300    3.64940100   12.98014400
 H                  2.57079600    4.42256800   11.94535600
 C                  0.89054500    5.24651600   13.07399500
 H                 -1.03765700    6.02843500   13.74759200
 H                  0.91822400    4.43923800   13.83174100
 H                  1.46587400    6.10012400   13.48287800
 C                 -0.09534300    3.39762400    7.06519800
 H                 -0.60611100    3.69733400    6.13001200
 C                 -0.55833800    1.95548100    7.38879600
 C                  1.41278500    3.42635400    6.72776000
 H                 -1.63082900    1.95261600    7.66268300
 C                  0.28860100    1.32792500    8.51489200
 C                 -0.34604500    1.12057500    6.09419300
 H                  1.71779900    4.46709500    6.53287500
 C                  2.25395900    2.82075000    7.86471200
 C                  1.61092000    2.58371000    5.44248900
 H                 -0.02841500    0.27736900    8.66358100
 H                  0.10271100    1.84601500    9.46752400
 C                  1.79180300    1.36614900    8.13721000
 H                 -0.96005100    1.52758800    5.26748100
 H                 -0.68788700    0.08243700    6.27153400
 C                  1.15185700    1.12964800    5.69968500
 H                  2.16997900    3.44572000    8.77162300
 H                  3.32163000    2.83285000    7.57477000
 H                  1.03940800    3.03168800    4.60694500
 H                  2.67994100    2.60559300    5.15760800
 H                  2.38874700    0.93688600    8.96431500
 C                  1.99581800    0.52797200    6.85069600
 H                  1.29198200    0.52762000    4.78155000
 H                  3.06670100    0.51967800    6.56728700
 H                  1.69654600   -0.52301000    7.03203100

67 104 F

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

Au 0
SDD


--link1--
%nproc=20
%Mem=40000MB
%Chk=IE14_TSInt1a-2a_adam2
#p geom=checkpoint guess=read SCRF=(PCM,Solvent=dichloroethane) BP86/genecp opt=(ts, noeigentest,calcfc,modredundant) temperature=294.15 EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1

67 104 A

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

Au 0
SDD



