%nproc=20
%Mem=40000MB
%Chk=PM01_C_AuCl2
#p SCRF=(PCM,Solvent=dichloromethane) BP86/genecp opt EmpiricalDispersion=GD3 freq=noraman nosymm 
# scf(maxcyc=100) gfinput gfprint

opt freq

0 1
 Au                 2.93904700   10.60834400   20.93585000
 Fe                 3.01831600    6.89891900   22.48222800
 P                  3.48969100    8.77939400   19.70862500
 N                 -0.79604800    8.85154000   17.52784900
 C                  2.89968800    7.24857700   20.47998000
 Cl                 2.67418400   12.38512000   22.46228300
 C                  3.71090000    6.07431300   20.74785200
 H                  4.76142500    5.95255400   20.48281100
 C                  2.89401900    5.12852300   21.45848100
 H                  3.22775800    4.16426800   21.84619900
 C                  1.59020900    5.71106400   21.63767500
 H                  0.76600600    5.25471600   22.18813600
 C                  1.57838400    7.02442000   21.04567800
 C                  0.38994400    7.97053800   20.97987500
 H                  0.76746200    8.97959400   21.24323400
 C                 -0.69625000    7.59282800   22.01007100
 H                 -1.50248500    8.34537900   22.00801400
 H                 -0.26928000    7.53825900   23.02691300
 H                 -1.15426400    6.61777800   21.76716500
 C                 -0.15890200    8.04298800   19.56886400
 C                 -0.48818200    6.92847300   18.71585200
 C                 -0.46297100    5.52140000   18.86965400
 H                 -0.16379500    5.07430100   19.82172700
 C                 -0.81741200    4.70885100   17.78721100
 H                 -0.79706400    3.61925000   17.90070200
 C                 -1.20458500    5.27090200   16.54321200
 H                 -1.47445900    4.61034300   15.71203500
 C                 -1.24071400    6.65847900   16.35738600
 H                 -1.51741500    7.09097900   15.39057700
 C                 -0.87851900    7.47152300   17.44723000
 C                 -1.15814000    9.74696900   16.43671400
 H                 -1.42789600   10.73362800   16.84029000
 H                 -2.03041100    9.33641800   15.90195600
 H                 -0.31884400    9.86358300   15.72630200
 C                 -0.35842800    9.20577600   18.81391700
 C                 -0.19189500   10.61212900   19.21963700
 C                  0.52847400   11.53167800   18.41999800
 H                  0.99930700   11.18281400   17.49737800
 C                  0.66207400   12.87121200   18.81354700
 H                  1.22674800   13.56619500   18.18232600
 C                  0.08445500   13.31715900   20.01389200
 H                  0.19445700   14.36136700   20.32420900
 C                 -0.62497400   12.41259500   20.82147800
 H                 -1.07328100   12.75066600   21.76165000
 C                 -0.76533200   11.07456800   20.42805400
 H                 -1.34408500   10.37968300   21.04452200
 C                  2.69439300    8.46413000   23.75375600
 H                  2.04662900    9.31364600   23.52590900
 C                  2.31637800    7.21938900   24.37266900
 H                  1.31235700    6.94689000   24.70258400
 C                  3.47682100    6.36988200   24.40876700
 H                  3.50524600    5.34155000   24.77454700
 C                  4.57971900    7.07900200   23.81790800
 H                  5.58978900    6.69429800   23.66637500
 C                  4.09673700    8.37557000   23.41838300
 H                  4.68161000    9.14795900   22.92026900
 C                  5.31497600    8.56874800   19.58155300
 C                  6.19354700    9.32479600   20.38303500
 H                  5.79166100   10.07225300   21.07666400
 C                  7.58129600    9.13446000   20.27961600
 H                  8.25788300    9.72846900   20.90302200
 C                  8.09707100    8.19376900   19.37259800
 H                  9.17952700    8.04991200   19.28891300
 C                  7.22452100    7.44612100   18.56150000
 H                  7.62394300    6.71910900   17.84656200
 C                  5.83807100    7.63524800   18.65963800
 H                  5.16008200    7.06267500   18.01678000
 C                  2.96157300    8.75692300   17.95351500
 C                  2.38202000    7.61507100   17.37151700
 H                  2.17792500    6.72891500   17.97985000
 C                  2.02406900    7.63110200   16.01329500
 H                  1.54240900    6.75144100   15.57593200
 C                  2.25499700    8.77726800   15.23545900
 H                  1.97009300    8.78780300   14.17788600
 C                  2.85073100    9.91423800   15.81376700
 H                  3.03028600   10.81031600   15.21012800
 C                  3.20197900    9.90696400   17.17149000
 H                  3.64604500   10.79722400   17.63267000

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

Au Fe 0
SDD



