%nproc=12
%Mem=24000MB
%Chk=IE17_D
#p SCRF=(PCM,Solvent=dichloromethane) BP86/genecp opt EmpiricalDispersion=GD3 freq=noraman nosymm 
# scf(maxcyc=100) gfinput gfprint

opt freq

0 1
 Au                 2.93166500   10.64401300   20.89133500
 Fe                 3.03155900    6.90518900   22.46430300
 P                  3.49050200    8.80015900   19.69115200
 N                 -0.80986500    8.85585600   17.52836500
 C                  2.90015500    7.27295500   20.46815600
 Cl                 2.64461200   12.44222600   22.38750500
 C                  3.71159500    6.09580100   20.71954600
 H                  4.76145200    5.97797200   20.45004400
 C                  2.89863600    5.14576400   21.42149500
 H                  3.22989100    4.17565500   21.79647000
 C                  1.59903400    5.72669300   21.61711400
 H                  0.77593500    5.26610900   22.16537600
 C                  1.57824900    7.04869400   21.04135900
 C                  0.39019600    7.99495700   20.98145400
 H                  0.77079900    9.00472100   21.23631000
 C                 -0.68740200    7.62012700   22.02179800
 H                 -1.48949800    8.37698400   22.03157700
 H                 -0.24740500    7.55882000   23.03291300
 H                 -1.15220000    6.64794700   21.78040700
 C                 -0.16623000    8.05990100   19.57257300
 C                 -0.50290900    6.94023500   18.72830400
 C                 -0.48494300    5.53404800   18.89159300
 H                 -0.18630000    5.09137400   19.84589600
 C                 -0.84720700    4.71581000   17.81592800
 H                 -0.83249000    3.62686700   17.93740700
 C                 -1.23558200    5.27081300   16.56927400
 H                 -1.51174400    4.60574000   15.74365200
 C                 -1.26592300    6.65726500   16.37423500
 H                 -1.54525800    7.08501200   15.40598300
 C                 -0.89575400    7.47570700   17.45732400
 C                 -1.16237300    9.74323100   16.42742400
 H                 -1.41184600   10.73962200   16.81949200
 H                 -2.04501000    9.34149500   15.90299300
 H                 -0.32488500    9.83490400   15.71157300
 C                 -0.36645000    9.21775300   18.81026300
 C                 -0.20221200   10.62770400   19.20508200
 C                  0.52177300   11.54052700   18.40088600
 H                  1.00083200   11.18257800   17.48569100
 C                  0.64646100   12.88528700   18.77938900
 C                  0.05745700   13.34247400   19.96990500
 H                  0.16036400   14.39089300   20.26863600
 C                 -0.65372100   12.44419400   20.78302100
 C                 -0.78596700   11.10109700   20.40404800
 H                 -1.36635800   10.41040100   21.02401200
 C                  2.65147300    8.38296300   23.83109100
 H                  1.91043400    9.17263400   23.69298300
 C                  2.42651400    7.08071200   24.40505900
 H                  1.47683600    6.70081200   24.78598000
 C                  3.66100900    6.33954700   24.32701100
 H                  3.80487200    5.30289400   24.63774500
 C                  4.64883700    7.18345800   23.70606600
 H                  5.67669800    6.90577300   23.46684600
 C                  4.02565800    8.44408000   23.40904000
 H                  4.49795300    9.29574200   22.92018000
 C                  5.31550600    8.57016400   19.59394700
 C                  6.17759200    9.24589200   20.48103400
 H                  5.76729200    9.96347800   21.20010800
 C                  7.56172900    9.01395300   20.43166800
 H                  8.22504500    9.54510900   21.12256700
 C                  8.09183100    8.11282200   19.49293800
 H                  9.17197100    7.93589700   19.45250200
 C                  7.23666200    7.44693100   18.59685100
 H                  7.64713000    6.75097800   17.85746800
 C                  5.85303200    7.67533300   18.64287300
 H                  5.18969400    7.15918400   17.93983700
 C                  2.96793100    8.76295600   17.93545400
 C                  2.38271500    7.61797800   17.36475800
 H                  2.17691400    6.73780300   17.98138200
 C                  2.02065900    7.62368700   16.00758700
 H                  1.53461400    6.74194300   15.57897500
 C                  2.25302800    8.76247800   15.21934700
 H                  1.96538200    8.76468800   14.16234800
 C                  2.85271300    9.90304100   15.78653800
 H                  3.03235600   10.79372500   15.17484800
 C                  3.20761800    9.90645700   17.14330000
 H                  3.65500600   10.79964300   17.59567600
 C                 -1.29605425   12.93259287   22.09468961
 C                 -1.29177535   11.78846610   23.12549300
 H                 -1.56210095   10.87255492   22.64286398
 H                 -0.31366820   11.69340953   23.54877855
 H                 -1.99658394   12.00448900   23.90104375
 C                 -0.49231310   14.12435740   22.64722691
 H                 -1.16578337   14.89687832   22.95471550
 H                  0.08968169   13.80387591   23.48596029
 H                  0.15760568   14.50036182   21.88491054
 C                 -2.74640727   13.37335371   21.82301700
 H                 -3.15497252   13.81920299   22.70573601
 H                 -2.75907146   14.08592552   21.02490608
 H                 -3.33289022   12.52117538   21.54964943
 C                  1.44342756   13.85515712   17.88731487
 C                  2.24801190   13.05293149   16.84775820
 H                  3.15286821   12.69702621   17.29437492
 H                  1.66555182   12.22113435   16.51048419
 H                  2.48464483   13.68324365   16.01612641
 C                  2.40904966   14.67892796   18.75942470
 H                  2.01384855   14.75974488   19.75047703
 H                  3.36158014   14.19271639   18.79383390
 H                  2.52263925   15.65668267   18.33990934
 C                  0.47018735   14.80348158   17.16268791
 H                  0.06479809   15.50254015   17.86402711
 H                  0.99366044   15.33244402   16.39387411
 H                 -0.32410856   14.23436103   16.72668815

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

Au Fe 0
SDD


