%nproc=20
%Mem=40000MB
%Chk=IE14_TSInt1b-2b_F_A_less2
#p SCRF=(PCM,Solvent=dichloroethane) BP86/genecp opt temperature=294.15 EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 Au                 0.34202000    6.97912200    7.28878200
 C                 -2.03802700    4.40796300    7.60996000
 C                 -2.87237100    3.76852100    8.54940100
 C                 -4.16437200    3.33319800    8.22380800
 C                 -4.65686100    3.50301900    6.92306700
 C                 -3.83572600    4.11074500    5.96820500
 C                 -2.53790900    4.57832100    6.27915200
 C                 -1.79057100    5.22914500    5.16709100
 C                 -1.35299600    4.49874300    4.04075700
 C                 -0.60695000    5.11780500    3.03496200
 C                 -0.32364300    6.50628200    3.09536000
 C                 -0.84348100    7.25526000    4.16899700
 C                 -1.55365200    6.61355900    5.19208800
 C                  1.06456100    8.42470900    2.29742800
 C                  1.79592500    8.70090600    0.93992200
 C                  1.24811300    7.62925900   -0.04608300
 C                  0.02933500    7.02206200    0.67160900
 C                  1.98610400    8.50415200    3.50523400
 C                  2.37756200    9.77470000    3.95702500
 C                  3.21841500    9.91564400    5.07200100
 C                  3.69668100    8.78897000    5.74900500
 C                  3.31804700    7.51775300    5.28988200
 C                  2.47668600    7.36764700    4.17592600
 C                  3.52607100   11.29757500    5.58858600
 C                  3.88088600    6.31609700    6.00285500
 C                 -1.29550100    7.78198000    0.50516000
 C                 -2.46410800    7.24705100    1.08607600
 C                 -3.66419900    7.97460800    1.09335900
 C                 -3.74930100    9.22101600    0.46052500
 C                 -2.59511000    9.75082700   -0.13522400
 C                 -1.37875600    9.05090700   -0.09844700
 C                 -4.85786800    7.38526900    1.80576100
 C                 -2.67449700   11.08965300   -0.82806100
 C                  0.71841500    3.31543800    7.74403500
 C                 -0.32851400    5.25391100   10.04450200
 P                 -0.30646000    4.88186900    8.14044000
 N                  0.48071200    7.08964100    2.09374000
 F                  4.65808400   11.33212300    6.34188700
 F                  2.50582300   11.76005900    6.38248200
 F                  3.66774800   12.20011500    4.57573200
 F                  5.23255300    6.22924600    5.85995600
 F                  3.34701800    5.14275400    5.56712400
 F                  3.64720300    6.38174900    7.36287900
 F                 -4.50315100    6.87724300    3.02580000
 F                 -5.42528900    6.36450900    1.10391200
 F                 -5.83497700    8.31724800    2.02712900
 F                 -1.45799300   11.70718100   -0.89390900
 F                 -3.13839400   10.97814200   -2.10435900
 F                 -3.52333800   11.94438000   -0.17335900
 H                  0.27245800    9.19877100    2.43039100
 H                  2.88676600    8.60585200    1.06144900
 H                  1.58989900    9.73197200    0.60891300
 H                  1.99365900    6.83105700   -0.19010700
 H                  1.00437700    8.03389200   -1.04151000
 H                 -0.12578300    5.96648200    0.39275900
 H                 -2.51584100    3.57766900    9.56035000
 H                 -5.66203000    3.16216200    6.66035900
 H                 -4.20374500    4.25840800    4.94761400
 H                 -1.56329700    3.42577800    3.97516800
 H                 -0.22951400    4.52507900    2.19533600
 H                 -1.98853800    7.20286300    5.99938700
 H                 -0.68903600    8.33417600    4.22698300
 H                  2.02581300   10.66522200    3.43139900
 H                  2.19358400    6.36921600    3.83672600
 H                  4.34837200    8.90041200    6.61826200
 H                 -4.68613600    9.78294200    0.45934900
 H                 -0.49598500    9.51400000   -0.54455600
 H                 -2.43648600    6.26737800    1.56964100
 C                 -0.56524800    9.76431600    7.08179600
 C                  0.47697400    9.05583000    7.47579800
 C                  0.97528200    6.03092800   10.38077100
 H                  1.88963400    5.48835200   10.09517400
 H                  1.00086700    7.02057000    9.89354900
 H                  1.00653400    6.19120300   11.47495400
 C                 -0.38715500    4.02947700   10.98706100
 H                 -1.24952200    3.36562400   10.82393200
 H                  0.52854300    3.41989900   10.92251200
 H                 -0.46013700    4.40052900   12.02626200
 C                 -1.51661700    6.20889500   10.31406100
 H                 -1.50379400    7.06720400    9.61724500
 H                 -2.49581600    5.70937300   10.23767400
 H                 -1.42296900    6.60644100   11.34177300
 C                  2.13281100    3.46889500    8.33948000
 H                  2.61442500    4.40652100    8.02222000
 H                  2.12966700    3.42135000    9.44068800
 H                  2.75629000    2.63003500    7.97750700
 C                  0.05411700    2.01927900    8.25626100
 H                  0.66463700    1.16167000    7.91657700
 H                 -0.00204500    1.97003500    9.35416400
 H                 -0.96207700    1.88699600    7.84743900
 C                  0.80997300    3.24495600    6.20399800
 H                  1.53114200    2.45366300    5.92615000
 H                 -0.16251200    2.97931000    5.76246900
 H                  1.14764900    4.19341200    5.75654700
 C                 -5.03083000    2.74268900    9.30883800
 F                 -4.30417500    1.98568200   10.18235800
 F                 -6.02139500    1.95638600    8.80429500
 F                 -5.63342000    3.72490000   10.04745800
 C                  1.36680600    9.69290100    8.45514300
 C                  2.58572100    9.19185500    8.94151300
 C                  3.32707300    9.94617300    9.86537400
 H                  2.94475900    8.22508900    8.58095500
 C                  2.84294900   11.18099300   10.33143300
 H                  4.28677900    9.56475300   10.22910900
 H                  3.42113600   11.75835300   11.05965900
 C                  0.89189700   10.93621900    8.94069600
 C                  1.60613100   11.68153300    9.88369600
 H                  1.20982400   12.62435700   10.26980000
 C                 -1.71358800    9.87743800    6.25119300
 C                 -1.61298900   10.58252100    4.99641600
 C                 -2.92236700    9.22466300    6.59929700
 C                 -0.43867400   11.29323200    4.62880100
 C                 -2.72665600   10.56099100    4.08852300
 C                 -4.00332300    9.18523900    5.67448400
 C                 -0.36958100   11.95219300    3.40510600
 H                  0.40177800   11.32941700    5.32793300
 C                 -2.63331600   11.26730600    2.85754600
 C                 -3.89427300    9.83078100    4.45340000
 H                 -4.91380100    8.63130600    5.91006100
 C                 -1.47119200   11.94286300    2.51078900
 H                  0.53659800   12.50929400    3.14314500
 H                 -3.49555000   11.27533500    2.18663400
 H                 -4.72248800    9.76635000    3.74004700
 H                 -1.40665400   12.46492100    1.55235300
 O                 -2.94420600    8.59819800    7.80658100
 C                 -4.06001800    7.72945800    8.10888300
 H                 -4.11427500    6.89497400    7.38582200
 H                 -3.85048700    7.33253100    9.10982300
 H                 -5.01086700    8.28977600    8.12531300
 N                 -0.38911500   11.29658900    8.36264400
 H                 -1.16614700   11.01502900    8.98596800
 O                 -0.97459600   13.63313200    9.41667900
 O                  0.56878100   13.54783400    7.34699300
 C                 -5.46360400   13.18410600    4.39222700
 H                 -5.41637400   14.00200300    3.65449300
 H                 -5.47327700   12.23011600    3.83086000
 H                 -6.42113800   13.25163200    4.93622500
 S                 -0.62722500   13.09200300    8.07932000
 C                 -2.05570700   13.11528800    7.02111900
 C                 -3.25829800   12.52585800    7.44964500
 H                 -3.34335700   12.04310500    8.42779900
 C                 -4.36022900   12.56597300    6.58893800
 H                 -5.29542600   12.08615500    6.89481000
 C                 -4.28429300   13.20852100    5.33302700
 C                 -3.07280500   13.82382000    4.95587900
 H                 -2.99847800   14.32245700    3.98461100
 C                 -1.94559700   13.77112700    5.78403800
 H                 -0.99586800   14.21445700    5.47651200

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

Au 0
SDD


