%nproc=8
%Mem=8000MB
%Chk=IE9_TS3_2_exo_S1S9
#p SCRF=(PCM,Solvent=Dichloromethane) BP86/genecp opt=(ts, noeigentest, calcfc) EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 C                 -3.98630800   -0.39125000    1.40530700
 C                 -2.97172700    0.49955700    1.01392300
 C                 -1.68830500    0.01545100    0.70190600
 C                 -1.40326200   -1.35980800    0.73888900
 C                 -2.42232700   -2.24710000    1.13654300
 C                 -3.71473900   -1.77597400    1.46867800
 H                 -0.41703200   -1.75428200    0.47397600
 H                 -4.49910900   -2.47567000    1.75828600
 C                 -0.79020400    1.13301100    0.35033300
 C                  0.55689300    1.14830100    0.15689600
 C                 -3.07662100    1.99606000    0.88751000
 H                 -3.23374000    2.49422900    1.86192300
 H                 -3.91395800    2.30804500    0.23806500
 C                 -1.67827600    2.44291900    0.31206800
 H                 -1.21971700    3.23756100    0.91924600
 C                 -1.71903600    2.81331600   -1.09930500
 C                 -2.35106200    1.91787000   -2.10505500
 H                 -3.26427800    2.42490400   -2.48357000
 H                 -1.69572000    1.80345800   -2.98719700
 H                 -2.62713600    0.93042000   -1.70766400
 C                 -1.31127100    4.17347600   -1.53358500
 H                 -1.09391100    4.24497500   -2.60953000
 H                 -2.19676000    4.81858600   -1.32255100
 H                 -0.47799000    4.58624400   -0.94174100
 C                  1.21069000    2.33119600   -0.44282800
 C                  1.73442900    3.37869000    0.35279600
 C                  1.29486300    2.43272200   -1.85407500
 C                  2.25746000    4.52873600   -0.25407300
 H                  1.68966200    3.29434500    1.44410000
 C                  1.85476900    3.57013300   -2.45646800
 H                  0.91845900    1.60695300   -2.46731600
 C                  2.31878000    4.62960300   -1.65995500
 H                  2.62179800    5.35289700    0.36885800
 H                  1.90886800    3.63663600   -3.54837800
 H                  2.73719100    5.52764400   -2.12621300
 O                 -2.06485600   -3.57022700    1.15919900
 O                 -5.19419000    0.18003900    1.69894000
 C                 -6.26438100   -0.68675200    2.10990400
 H                 -7.12346800   -0.02656600    2.29707800
 H                 -6.52266900   -1.41236300    1.31556400
 H                 -6.00661500   -1.23020200    3.03850900
 C                 -3.06323300   -4.53342600    1.52808500
 H                 -3.92086100   -4.51554200    0.82863900
 H                 -2.56494000   -5.51201900    1.47017300
 H                 -3.42531900   -4.36618400    2.56058200
 P                  3.29633300   -2.12366100    1.20938300
 C                  3.68396100   -2.23109600    3.00767500
 H                  4.34763000   -3.09037500    3.20649300
 H                  4.17910400   -1.30015500    3.32889500
 H                  2.74622800   -2.34863700    3.57502400
 C                  4.94097500   -2.07202200    0.38104400
 H                  5.55099000   -2.94007400    0.68542900
 H                  4.79923800   -2.08548000   -0.71195200
 H                  5.45898900   -1.14027900    0.66093700
 C                  2.60727300   -3.77831600    0.78105800
 H                  1.64411000   -3.91481700    1.29925900
 H                  2.43327400   -3.82821100   -0.30628300
 H                  3.30699600   -4.57754400    1.08022400
 Au                 1.84651100   -0.38151900    0.65209700

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

Au 0
SDD


