%nproc=20
%Mem=40000MB
%Chk=IE17_T_XRay_2
#p SCRF=(PCM,Solvent=dichloromethane) BP86/genecp opt EmpiricalDispersion=GD3 freq=noraman nosymm 
# scf(maxcyc=100) gfinput gfprint

opt freq

0 1
 Au                 5.52942200   10.19160200   13.30612400
 Fe                 4.11237900   10.47146900   17.16133100
 P                  3.45260700   10.93697200   13.84303100
 Cl                 7.58482000    9.08909900   12.98075800
 N                  4.81626600   15.31312200   12.84790300
 C                  5.47191600   14.21350900   13.42605400
 C                  2.58794500   13.18444400    9.09343100
 H                  2.79383200   12.16640200    8.72090400
 H                  3.45656500   13.81652100    8.82585700
 H                  1.71734000   13.58266200    8.54421800
 O                  9.94072400   12.13909000   13.28180300
 O                  7.20553100   11.69312500    9.48606100
 C                  5.06779300   14.08918600   14.76199000
 C                  4.01315100   15.91028700   13.80591200
 O                  9.49681700   11.21542800   10.76601900
 C                  6.49364200   13.43264900   12.70704500
 C                  5.50873500    9.90694500   18.53529600
 H                  5.91785000   10.57704200   19.29360100
 C                  3.73856600   12.41768200   17.64936000
 H                  4.22570400   12.94955600   18.46798700
 C                  7.30493300   12.21867700   10.74868100
 C                  4.08751600    8.43252800   17.41665800
 H                  3.24312900    7.78594300   17.17158500
 C                  5.47626600   13.00057900   15.73437600
 H                  6.03667000   12.23580500   15.16136700
 C                  3.31928000   11.46089300   15.57290800
 C                  0.26563600    7.57092800   13.80406200
 H                 -0.49260500    6.77757800   13.82921800
 C                  5.14758700    8.80532200   16.51926700
 H                  5.26412300    8.48632100   15.48274800
 C                  3.20757000   17.05912400   13.71055900
 H                  3.11190600   17.61352000   12.77146700
 C                  2.27182900   11.04007600   16.48424600
 H                  1.45341100   10.36288100   16.23851400
 C                  4.14165100   15.16161600   15.02234700
 C                  2.57517400    8.26384500   14.00410400
 H                  3.62858900    8.02124000   14.17963900
 C                  2.53573300   11.63843200   17.76056600
 H                  1.95901700   11.47712900   18.67334600
 C                  6.01991800    9.72269800   17.20053000
 H                  6.88803900   10.21627300   16.76026600
 C                  3.40457000   15.57876900   16.15588000
 H                  3.46867400   15.01811000   17.09334300
 C                 -0.13687900    8.89157100   13.51787700
 C                  7.72413300   13.19200300   13.35686500
 H                  7.88868700   13.61309800   14.34903600
 C                  1.55977100   14.19964100   11.18430500
 H                  1.08834300   14.95442700   10.54162800
 C                  0.84286400    9.90271500   13.49304700
 H                  0.54650700   10.93701200   13.28505500
 C                  4.94647200   15.81021000   11.48497000
 H                  5.89269900   15.45766100   11.05027900
 H                  4.95217400   16.91279900   11.49514700
 H                  4.10489900   15.45850900   10.85985100
 C                  2.35250200   13.19597800   10.58918100
 C                  6.40321000   13.52750000   16.85149500
 H                  5.92264700   14.34575400   17.41608300
 H                  7.33550400   13.92972300   16.42009100
 H                  6.66423000   12.71935200   17.55783200
 C                  1.61174800    7.23758200   14.05056300
 C                  8.73204700   12.45029200   12.71725900
 C                  4.24705900   12.31299100   16.30407600
 C                  8.53578400   11.97311100   11.40067500
 C                  2.60124500   16.72205700   16.06541100
 H                  2.03481300   17.05540700   16.94225100
 C                  1.96254500   13.29304100   13.39231000
 H                  1.83260700   13.33757900   14.47885400
 C                  4.31392400    9.10942300   18.66857400
 H                  3.66486900    9.07225400   19.54559900
 C                  2.75381400   12.28289900   12.81904800
 C                  2.19561900    9.59278600   13.73748500
 C                  0.41864300   15.29296500   13.17530400
 H                  0.65717200   15.47163000   14.23618900
 H                 -0.63496400   14.95928100   13.10870300
 H                  0.49653700   16.25801800   12.64668300
 C                  6.28051000   12.93204300   11.40250100
 H                  5.31105700   13.08430100   10.92747200
 C                  1.34138400   14.25661000   12.57431300
 C                 10.12858600   12.49671400   14.65841300
 H                 11.11177200   12.09057300   14.93754900
 H                  9.34558200   12.04696500   15.29877900
 H                 10.13197000   13.59524000   14.79767900
 C                 10.60979000   11.99273200   10.27694700
 H                 11.28923800   11.27893100    9.78503400
 H                 11.14015300   12.49690800   11.10573200
 H                 10.27007300   12.74598800    9.53980000
 C                  2.93690900   12.22565300   11.42367700
 H                  3.54252400   11.41888200   10.99255100
 C                  5.96783100   11.88977500    8.79487900
 H                  6.09729900   11.41892300    7.80932400
 H                  5.74114300   12.96553100    8.66215400
 H                  5.12824900   11.40179000    9.32511700
 C                  2.51179500   17.46049300   14.85803300
 H                  1.87249500   18.34898700   14.81386300
 C                  2.01938400    5.81822500   14.38668400
 H                  3.02757800    5.58658300   14.00133000
 H                  1.31054200    5.08256400   13.96955800
 H                  2.04590800    5.66640400   15.48272600
 C                 -1.58590300    9.21185200   13.21591700
 H                 -1.81380800   10.27478300   13.40577800
 H                 -2.27095000    8.59606700   13.82462400
 H                 -1.82075900    9.00833700   12.15377600

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

Au Fe 0
SDD


