%nproc=20
%Mem=40000MB
%Chk=IE13_TSInt1b-2b_2_less2
#p SCRF=(PCM,Solvent=dichloroethane) BP86/genecp temperature=273.15 opt EmpiricalDispersion=GD3 freq=noraman nosymm 
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 P                  7.82463500   12.69859500    8.38381700
 Fe                 8.32372000   17.21380100   11.03787600
 Au                 8.07469400   14.64067500    7.06647500
 C                  7.65732600   11.72755900   11.01171600
 H                  7.20267900   10.84948400   10.54834100
 C                  7.99388000   11.66556500   12.36898100
 H                  7.77229000   10.76188600   12.94585100
 C                  8.64571900   12.75784500   12.96419800
 H                  8.95939800   12.71579700   14.01260900
 C                  8.86488600   13.91847100   12.21621300
 H                  9.33015400   14.79196900   12.68222100
 C                  8.64189400   15.34517200   10.20204000
 C                  9.59584200   17.33950900    9.46802800
 H                 10.33339500   18.12831500    9.32371500
 C                  9.84805000   16.13400900   10.19693100
 H                 10.78691100   15.85837600   10.67961900
 C                  7.71042400   16.98336900   12.99295100
 H                  7.54214500   16.02565300   13.48744800
 C                  7.64250500   16.08951300    9.46984800
 H                  6.61085500   15.76453800    9.37575800
 C                  8.21905000   17.34187500    8.99693900
 C                  8.74168200   18.88816900   12.13685000
 H                  9.49880500   19.62638500   11.86649500
 C                  8.95677500   17.70126900   12.92683000
 H                  9.90707700   17.38354500   13.36003800
 C                  7.36489100   18.89620900   11.71416800
 H                  6.90557200   19.63434300   11.05341100
 C                  8.44663500   19.54085700    7.85677600
 H                  9.48525800   19.55123600    8.19560700
 C                  7.61894600   18.43711800    8.19194400
 C                  6.72847200   17.71944000   12.24638600
 H                  5.68917700   17.42239100   12.11171000
 C                  5.83325000   19.56258500    6.92707500
 H                  4.80357300   19.54568000    6.55396400
 C                  6.66315200   20.65253900    6.63887100
 H                  6.28727300   21.49441900    6.04894200
 C                  6.28101600   18.46338400    7.69224600
 C                  4.76063000   17.18165900    9.22361200
 H                  5.13739900   17.79096100   10.04724700
 C                  5.27715900   17.38614000    7.93255600
 C                  3.81831600   16.17077100    9.46243800
 C                  3.81902900   15.61172800    7.11263100
 C                  3.32942700   15.38768300    8.40817500
 H                  2.59776800   14.59966900    8.59815600
 C                  7.98618700   20.63165600    7.10880400
 H                  8.66695900   21.46254200    6.89424600
 C                  4.78946200   16.59867400    6.86943100
 H                  5.18132700   16.74956200    5.85981300
 C                  3.46223100   15.83264100   10.88643400
 C                  3.26073100   14.80087500    5.96830500
 F                  4.45525300   15.06683500   11.45080400
 F                  3.34563500   16.94847700   11.66743700
 F                  2.30558200   15.12932000   10.99154300
 F                  2.17898700   15.40776200    5.39936100
 F                  4.17985000   14.61859800    4.97491200
 F                  2.85269600   13.56109900    6.37677400
 C                  9.38451500   11.63636100    8.01314500
 C                  9.46079200   11.41785600    6.48551500
 H                  9.41316700   12.37333600    5.93276300
 H                 10.42205700   10.92943500    6.23807000
 H                  8.64980000   10.76348700    6.12063900
 C                 10.57909000   12.50217600    8.48548700
 H                 10.55676600   13.51633600    8.05121000
 H                 10.59617900   12.60622600    9.58426700
 H                 11.52371400   12.01909500    8.17171500
 C                  9.45534000   10.27914100    8.74107300
 H                 10.41425800    9.79526500    8.47468300
 H                  9.44110300   10.39831600    9.83687200
 H                  8.64763000    9.59079200    8.44978100
 C                  6.16299100   11.85534100    7.93787600
 C                  5.85980300   12.19458600    6.45678800
 H                  4.89486400   11.73438100    6.17583600
 H                  5.76995900   13.28109500    6.29384100
 H                  6.63596400   11.81048800    5.77308500
 C                  6.09585200   10.32239000    8.09560300
 H                  5.06742200    9.99575800    7.85153700
 H                  6.77735400    9.80868400    7.39676100
 H                  6.31076000    9.96945400    9.11669400
 C                  5.10911200   12.54585300    8.83211600
 H                  4.09864000   12.30335100    8.45567800
 H                  5.17772100   12.22935200    9.88562000
 H                  5.21878600   13.64378500    8.79751500
 C                  7.91631600   12.87703300   10.22499300
 C                  8.46435000   14.02952600   10.86296000
 C                  8.55879000   16.09681900    5.67781100
 C                  7.57327700   16.55511800    4.70309500
 C                  6.82694900   15.65820500    3.89593500
 C                  7.35163000   17.94940500    4.56224300
 C                  5.93944500   16.15104900    2.93598500
 H                  6.96696500   14.58048700    4.03320900
 C                  6.42404200   18.43775700    3.62591800
 H                  7.84655100   18.62915800    5.25817000
 C                  5.73230000   17.54322800    2.79875300
 H                  5.38608600   15.45327000    2.29884500
 H                  6.24423800   19.51572000    3.55550700
 H                  5.01262000   17.91626200    2.06225300
 C                  9.85403700   16.48457100    5.59134700
 C                 10.98209461   16.27428874    6.57177087
 H                 11.28261861   17.24050574    7.02900987
 H                 10.69519761   15.61314974    7.40333787
 C                 12.13033939   15.75765026    5.70256513
 C                 12.05470200   16.70642300    4.48229700
 H                 12.53966400   17.66884800    4.72565900
 H                 12.53922300   16.29698200    3.58218200
 C                 13.48891439   15.84815926    6.42443713
 H                 13.66670239   16.89785526    6.73308813
 H                 14.30415539   15.54659226    5.73945513
 C                 11.83160539   14.30317326    5.29749413
 H                 10.83282239   14.22705026    4.81297513
 H                 11.79311439   13.67287926    6.21007313
 O                 12.85007139   13.84045326    4.41225713
 O                 13.48092539   15.03833426    7.60753913
 C                 12.62737539   12.48175726    4.03913813
 H                 13.44250039   12.19324626    3.35635613
 H                 12.63855639   11.81064026    4.92536913
 H                 11.65261639   12.35458026    3.52048213
 C                 14.29514539   13.86585626    7.50580313
 H                 14.10654039   13.27084426    8.41429713
 H                 14.04068839   13.26067726    6.61329213
 H                 15.37447439   14.12209326    7.45869613
 C                 10.51049900   16.91167800    4.21158800
 H                 10.17413100   16.20806400    3.43262400
 C                 10.11896800   18.27422200    3.85951100
 C                 10.45911500   19.42414200    4.74564000
 H                 10.77571700   19.12144000    5.75467100
 H                 11.28170800   19.99927700    4.26920200
 H                  9.61121800   20.12652400    4.82985000
 C                  9.57464900   18.57464700    2.50400100
 H                 10.45959200   18.71774400    1.84147900
 H                  8.98760900   17.74170200    2.08696800
 H                  8.98559000   19.50431100    2.46987400

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

Au Fe 0
SDD

