%nproc=20
%Mem=40000MB
%Chk=IE17_TS1_2_R6
#p SCRF=(PCM,Solvent=dichloromethane) BP86/genecp opt=(modredundant) EmpiricalDispersion=GD3 freq=noraman nosymm 
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 C                  7.89640000   11.33310000   22.11380000
 C                  6.79320000   12.00390000   22.33790000
 C                  6.54090000   13.45110000   22.37810000
 C                  7.37620000   14.24180000   23.20320000
 C                  5.48070000   14.07060000   21.67570000
 C                  7.15970000   15.62370000   23.30810000
 H                  8.17230000   13.74750000   23.76980000
 C                  5.28210000   15.45440000   21.77170000
 H                  4.82910000   13.46300000   21.03620000
 C                  6.11640000   16.23680000   22.59140000
 H                  7.80850000   16.22360000   23.95610000
 H                  4.46730000   15.92390000   21.20950000
 H                  5.95040000   17.31630000   22.67450000
 C                  8.53420000   10.01710000   22.38140000
 H                  7.97230000    9.52470000   23.19050000
 H                  8.51140000    9.34770000   21.50250000
 C                 10.02300000   10.21450000   22.78000000
 C                 10.71940000    8.84830000   22.78970000
 O                 10.14290000    7.76720000   22.74230000
 O                 12.06210000    9.00270000   22.84410000
 C                 12.82170000    7.76450000   22.90350000
 H                 13.87510000    8.07280000   22.93400000
 H                 12.55220000    7.20000000   23.81100000
 H                 12.61880000    7.14760000   22.01330000
 C                 10.15320000   10.87700000   24.17120000
 O                 10.09470000   12.08600000   24.35960000
 O                 10.37280000    9.95100000   25.12380000
 C                 10.41330000   10.43960000   26.49330000
 H                  9.39180000   10.71770000   26.78770000
 H                 10.78000000    9.59310000   27.08900000
 H                 11.09340000   11.30230000   26.57120000
 C                 10.63150000   11.18300000   21.72010000
 H                 11.55430000   11.63940000   22.11170000
 H                 10.91010000   10.60160000   20.82620000
 C                  9.63090000   12.26690000   21.37540000
 H                  9.65130000   13.16980000   21.99450000
 C                  8.97100000   12.33570000   20.14930000
 C                  8.23440000   13.57360000   19.73320000
 H                  8.66500000   13.92890000   18.77590000
 H                  7.17180000   13.34680000   19.53310000
 H                  8.29050000   14.38090000   20.47760000
 C                  8.96940000   11.22220000   19.13930000
 H                  9.25050000   10.24190000   19.55030000
 H                  7.97900000   11.13110000   18.66040000
 H                  9.68910000   11.47080000   18.33420000
 Au                 5.14120000   10.72380000   22.28340000
 Fe                 1.95310000   10.66520000   25.07040000
 P                  3.60240000    9.03790000   22.57280000
 N                  0.96510000    9.58580000   18.63240000
 C                  2.08810000    9.38750000   23.49490000
 C                  1.65300000    8.68340000   24.68650000
 H                  2.18470000    7.86250000   25.16890000
 C                  0.43120000    9.29030000   25.12840000
 H                 -0.12940000    9.01700000   26.02420000
 C                  0.11310000   10.36640000   24.22940000
 H                 -0.73530000   11.04440000   24.33090000
 C                  1.13520000   10.45150000   23.21620000
 C                  1.11220000   11.31740000   21.96770000
 H                  2.12870000   11.74800000   21.86060000
 C                  0.11760000   12.48940000   22.11340000
 H                  0.16860000   13.15280000   21.23350000
 H                  0.34370000   13.08630000   23.01540000
 H                 -0.92010000   12.11910000   22.18740000
 C                  0.83760000   10.47490000   20.73630000
 C                 -0.05280000    9.34480000   20.65980000
 C                 -0.90140000    8.69220000   21.58590000
 H                 -0.98850000    9.06290000   22.61200000
 C                 -1.61920000    7.56390000   21.17360000
 H                 -2.27690000    7.05260000   21.88540000
 C                 -1.51570000    7.07250000   19.84660000
 H                 -2.09100000    6.18790000   19.55210000
 C                 -0.68080000    7.69200000   18.90820000
 H                 -0.57710000    7.29270000   17.89440000
 C                  0.04910000    8.81640000   19.33140000
 C                  1.29720000    9.37160000   17.22970000
 H                  1.73660000   10.28840000   16.81110000
 H                  0.37980000    9.13190000   16.66650000
 H                  2.01660000    8.53970000   17.11970000
 C                  1.44320000   10.59830000   19.47570000
 C                  2.43820000   11.59380000   19.05380000
 C                  3.63530000   11.22520000   18.39580000
 H                  3.81270000   10.17560000   18.15760000
 C                  4.63590000   12.18680000   18.14140000
 C                  4.44580000   13.53900000   18.52520000
 C                  3.24070000   13.89630000   19.18340000
 C                  2.24290000   12.94060000   19.42710000
 H                  1.30330000   13.23190000   19.89680000
 C                  2.66490000   12.58280000   25.15690000
 H                  2.57500000   13.31870000   24.35590000
 C                  1.71140000   12.34420000   26.21030000
 H                  0.76010000   12.86280000   26.34180000
 C                  2.19890000   11.25190000   27.01510000
 H                  1.67940000   10.80230000   27.86320000
 C                  3.45410000   10.81320000   26.46050000
 H                  4.05940000    9.97410000   26.80750000
 C                  3.74140000   11.64300000   25.31990000
 H                  4.59870000   11.54470000   24.65140000
 C                  4.56620000    7.97430000   23.73580000
 C                  5.50430000    8.56130000   24.61350000
 H                  5.69900000    9.63810000   24.56420000
 C                  6.19460000    7.77190000   25.54530000
 H                  6.92170000    8.24010000   26.21760000
 C                  5.95850000    6.38720000   25.60550000
 H                  6.49980000    5.76910000   26.32940000
 C                  5.03190000    5.79640000   24.72940000
 H                  4.84820000    4.71750000   24.76910000
 C                  4.33720000    6.58400000   23.79600000
 H                  3.61710000    6.11630000   23.11590000
 C                  3.16700000    7.92660000   21.18760000
 C                  1.94900000    7.21960000   21.16270000
 H                  1.20500000    7.37600000   21.94990000
 C                  1.68080000    6.33620000   20.10480000
 H                  0.72120000    5.81190000   20.07470000
 C                  2.61670000    6.16340000   19.07240000
 H                  2.39500000    5.48540000   18.24140000
 C                  3.83630000    6.86510000   19.09980000
 H                  4.57070000    6.72990000   18.29830000
 C                  4.11250000    7.74290000   20.15760000
 H                  5.06330000    8.28560000   20.19440000
 O                  5.85940000   11.89280000   17.60170000
 O                  5.40850000   14.50800000   18.45860000
 O                  3.16400000   15.20280000   19.58460000
 C                  6.27230000   10.52090000   17.58890000
 H                  5.66450000    9.91040000   16.89400000
 H                  7.32040000   10.53480000   17.25730000
 H                  6.22650000   10.09770000   18.61000000
 C                  6.18390000   14.66870000   17.25160000
 H                  5.52980000   14.64720000   16.36060000
 H                  6.65230000   15.65920000   17.35400000
 H                  6.95800000   13.89100000   17.16520000
 C                  2.05870000   15.58870000   20.41470000
 H                  2.28250000   16.61810000   20.72500000
 H                  1.10240000   15.55160000   19.85950000
 H                  1.98790000   14.95000000   21.31650000

1 35 F
1 37 F

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

Au Fe 0
SDD


--link1--
%nproc=20
%Mem=40000MB
%Chk=IE17_TS1_2_R6
#p geom=checkpoint guess=read SCRF=(PCM,Solvent=dichloromethane) BP86/genecp opt=(ts,noeigentest,calcfc,modredundant) EmpiricalDispersion=GD3 freq=noraman nosymm 
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1

1 35 A
1 37 A

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

Au Fe 0
SDD






