%nproc=20
%Mem=40000MB
%Chk=IE17_L_2
#p SCRF=(PCM,Solvent=dichloromethane) BP86/genecp opt EmpiricalDispersion=GD3 freq=noraman nosymm 
# scf(maxcyc=100) gfinput gfprint

opt freq

0 1
 Au                 1.37116800    1.98214100    3.61783300
 Fe                 2.89392800    4.78296400    1.06113900
 Cl                -0.74283600    2.45740300    4.54253900
 P                  3.24890900    1.67512100    2.37897000
 O                  0.82326200   -0.34008100    7.05994800
 N                  5.66488300    2.17559500    6.32992900
 C                  4.58595800    0.67698100    3.13439500
 O                 -0.37739500    1.56689200    8.51573300
 C                  5.93747400    1.05456100    3.03962200
 H                  6.21365400    2.00152100    2.56590200
 O                  0.48935100    4.14276100    8.44866000
 C                  6.58015600   -0.97159500    4.23027300
 H                  7.35785100   -1.60801800    4.66604800
 C                  5.22803500   -1.35580100    4.31578200
 H                  4.94955500   -2.29187800    4.81178400
 C                  4.23340900   -0.53623700    3.76506800
 H                  3.18005600   -0.83378000    3.81906400
 C                  2.90013200    0.79595000    0.79683500
 C                  3.96294800    0.22380500    0.06419500
 H                  4.98188200    0.24859200    0.46636100
 C                  6.93116000    0.22723400    3.58972400
 H                  7.97792500    0.54099900    3.53746700
 C                  3.71602000   -0.37395000   -1.18133500
 H                  4.54530000   -0.81416100   -1.74533500
 C                  2.40968000   -0.40991700   -1.70041900
 H                  2.21948100   -0.87829000   -2.67208600
 C                  1.34703500    0.14414400   -0.96666600
 H                  0.32551200    0.10590300   -1.35973600
 C                  1.58954200    0.74239300    0.28030900
 H                  0.75802900    1.15800800    0.85970600
 C                  4.12528600    4.45564100    2.64616600
 C                  3.97360800    3.24713400    1.84173700
 C                  4.41238800    3.54293900    0.49015400
 H                  4.37849300    2.85501200   -0.35496000
 C                  4.85130900    4.90760000    0.46026600
 H                  5.19862000    5.44735000   -0.42264700
 C                  4.68023700    5.46160900    1.77485000
 H                  4.87973400    6.49656000    2.05579600
 C                  1.88520000    5.97369300   -0.25936100
 H                  2.35954800    6.52174600   -1.07574400
 C                  1.38159900    4.62562500   -0.32345400
 H                  1.39648500    3.97079200   -1.19636300
 C                  0.89648800    4.27540400    0.98415700
 H                  0.47205900    3.31694500    1.28231200
 C                  1.10999500    5.39331100    1.86318500
 H                  0.88843400    5.40997200    2.93202500
 C                  1.71683900    6.44863500    1.09213900
 H                  2.04357500    7.41722200    1.47526100
 C                  3.83545300    4.60197800    4.13132300
 H                  2.82367000    4.18428000    4.31246500
 C                  4.81790000    3.77054400    4.93017500
 C                  6.25308400    3.75131100    4.78856000
 C                  7.17912000    4.45390200    3.98129600
 H                  6.83286800    5.22499100    3.28647100
 C                  8.54113000    4.14621500    4.07881000
 H                  9.26271800    4.68695500    3.45607100
 C                  9.00664100    3.14863300    4.97433100
 H                 10.07876700    2.92993000    5.02993300
 C                  8.11646900    2.43308300    5.78491900
 H                  8.47201000    1.64538500    6.45682800
 C                  6.74820800    2.74103400    5.67828600
 C                  4.49149200    2.80104200    5.88224800
 C                  3.17526400    2.48645900    6.47137000
 C                  2.45614100    3.51594900    7.11194600
 H                  2.88276500    4.52032300    7.13822900
 C                  1.24330700    3.22443600    7.76574400
 C                  0.73945000    1.90026600    7.78037400
 C                  1.43114400    0.88867700    7.07370700
 C                  2.65563200    1.17411200    6.43833200
 H                  3.21220300    0.40010800    5.90767700
 C                  5.77293000    1.08852500    7.29391600
 H                  5.92881100    0.12439300    6.77646300
 H                  4.84921500    1.03127100    7.88729000
 H                  6.62110700    1.27851200    7.97284100
 C                  3.81069400    6.08263800    4.56601300
 H                  3.10951800    6.66126400    3.93788700
 H                  4.81290600    6.54030000    4.48843200
 H                  3.48717800    6.16338200    5.61727200
 C                  1.33180200   -1.29700300    6.12138400
 H                  1.29200800   -0.89030300    5.09098200
 H                  0.66942800   -2.17173400    6.19914200
 H                  2.36932800   -1.60340400    6.35922300
 C                 -0.16566482    1.46663255    9.94332758
 H                  0.11946805    2.44678979   10.36333785
 H                  0.61753746    0.72474297   10.17863863
 H                 -1.12908295    1.13846845   10.36502975
 C                  0.91652700    5.51143000    8.40030700
 H                  0.96951500    5.88183700    7.35850000
 H                  1.90056700    5.64647300    8.88892200
 H                  0.15352400    6.07802600    8.95384400

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

Au Fe 0
SDD


