%nproc=12
%Mem=20000MB
%Chk=IE13_TSInt1a-2a_2Me_4_less
#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                  7.94842100   12.94570800    8.52246200
 Fe                 7.73073100   17.46039500   11.12376500
 Au                 8.30270000   14.77904700    7.07115900
 C                  8.18790900   12.02515900   11.14722800
 H                  7.84263900   11.08343200   10.71898300
 C                  8.56662800   12.03582000   12.49270900
 H                  8.50168900   11.11817100   13.08595700
 C                  9.04132200   13.23069000   13.05866800
 H                  9.37382700   13.26140500   14.10163200
 C                  9.04530300   14.39742500   12.29227200
 H                  9.34619600   15.34346100   12.75272100
 C                  8.55588700   15.75516800   10.29048800
 C                  9.13680200   17.95218300    9.76226100
 H                  9.67734300   18.89737500    9.75038400
 C                  9.54723600   16.78922800   10.48322500
 H                 10.44883700   16.69873600   11.09116100
 C                  7.03818500   16.99215000   13.00227700
 H                  7.10164000   16.00165400   13.45547700
 C                  7.52333600   16.31660200    9.44092600
 H                  6.59494700   15.81787000    9.17583700
 C                  7.88766100   17.67658100    9.07775300
 C                  7.57909100   19.13911800   12.28033800
 H                  8.12652300   20.06464000   12.09354200
 C                  8.03973500   18.02383700   13.06880300
 H                  9.00041800   17.95516800   13.58250500
 C                  6.29408500   18.79235800   11.73005100
 H                  5.70942700   19.41386100   11.04817100
 C                  7.96561800   19.80521000    7.81133300
 H                  8.99841300   19.91663800    8.15397800
 C                  7.22418000   18.64838700    8.17687700
 C                  5.96015700   17.46460400   12.17856600
 H                  5.06313600   16.89753700   11.93524600
 C                  5.40670500   19.52304600    6.78018100
 H                  4.40527500   19.38640500    6.35809300
 C                  6.13714400   20.67788800    6.47630900
 H                  5.70478100   21.45077700    5.83257600
 C                  5.92386200   18.50216900    7.60810800
 C                  4.38027200   17.06001800    9.00558900
 H                  4.62280700   17.66998700    9.87624700
 C                  5.02051500   17.32325200    7.78056300
 C                  3.42545800   16.03692000    9.10500900
 C                  3.69169200   15.54628000    6.75714400
 C                  3.06229800   15.28017500    7.98040000
 H                  2.30318000   14.49968600    8.05853300
 C                  7.43911200   20.80423700    6.98357500
 H                  8.05340900   21.67579300    6.73316300
 C                  4.67392400   16.54748500    6.65536100
 H                  5.15472900   16.74524900    5.69432600
 C                  2.83400900   15.72140400   10.45585400
 C                  3.27299200   14.81223500    5.50470700
 F                  3.70429600   14.96594500   11.20881700
 F                  2.59054200   16.85236100   11.18054100
 F                  1.67386500   15.02029700   10.37074700
 F                  2.63119500   15.64918000    4.63434200
 F                  4.34312200   14.29849200    4.82609200
 F                  2.43102400   13.77379800    5.76926400
 C                  9.28411700   11.68614000    7.93681700
 C                  8.97462500   11.32459300    6.46490700
 H                  8.84194700   12.22350500    5.83671600
 H                  9.82530400   10.74765500    6.05614800
 H                  8.07262500   10.69627300    6.37022500
 C                 10.63297900   12.44550200    8.01070700
 H                 10.66871500   13.28892400    7.29909900
 H                 10.83023000   12.83630900    9.02513800
 H                 11.45003700   11.74722600    7.74906600
 C                  9.42624500   10.39121000    8.76479000
 H                 10.16887400    9.74607000    8.25880400
 H                  9.80605700   10.59315700    9.77898100
 H                  8.49172100    9.81449400    8.84147000
 C                  6.15260700   12.27807800    8.37376800
 C                  5.65095700   12.59287600    6.94895200
 H                  4.58886000   12.29758200    6.86162500
 H                  5.71616400   13.67015600    6.72812900
 H                  6.21560700   12.04996200    6.17282100
 C                  5.97914800   10.76839700    8.64180500
 H                  4.90555900   10.52267400    8.53593900
 H                  6.52911800   10.14629800    7.91665300
 H                  6.27692600   10.47505100    9.66131400
 C                  5.31317000   13.08374800    9.38793600
 H                  4.24336600   12.85381000    9.23309100
 H                  5.56828200   12.84229800   10.43242100
 H                  5.43427500   14.17020600    9.24883300
 C                  8.24922100   13.18571500   10.33231500
 C                  8.60996100   14.42450400   10.94149700
 C                  8.78244300   16.03880900    5.44645700
 C                  7.65652800   16.50699400    4.61186800
 C                  7.28972500   17.86846800    4.63103900
 C                  6.94035900   15.59944000    3.78341200
 H                  7.81383000   18.55912700    5.29977300
 C                  5.49815700   17.45265500    3.02326300
 C                 10.07183200   16.28100900    5.30010400
 C                 11.37526600   16.06584000    5.99262800
 H                 11.18514300   15.51456900    6.92954600
 H                 12.05724700   15.43880900    5.38943600
 C                 12.01485200   17.44508400    6.28500200
 C                 11.91836700   18.27840400    4.96933900
 H                 11.86346700   19.34804500    5.23282300
 H                 12.83668600   18.13907100    4.37189300
 C                 11.17069200   18.09871800    7.40653500
 H                 11.24547400   17.47271100    8.31436000
 H                 10.11240700   18.10684000    7.09186500
 C                 13.48510200   17.29972200    6.69073700
 H                 13.95413800   18.30633500    6.76699100
 H                 14.03999500   16.73917100    5.90357700
 O                 13.55090500   16.60928900    7.93585900
 O                 11.51301000   19.45755700    7.69531400
 C                 14.89417800   16.46594100    8.39687700
 H                 14.84824900   15.92910400    9.35763000
 H                 15.51194100   15.88386500    7.68147800
 H                 15.37707900   17.45353400    8.55445200
 C                 12.39038100   19.61633700    8.81728700
 H                 12.52583300   20.70066900    8.95583900
 H                 11.94883000   19.18576300    9.73937700
 H                 13.37713700   19.14331600    8.65984000
 C                 10.70096100   17.88535900    4.15523100
 H                  9.82772800   18.54667400    4.20711100
 C                 10.71569300   16.95360400    3.11018400
 C                 11.90002800   16.08519200    2.78128400
 H                 12.77899100   16.25885500    3.41824600
 H                 11.61614800   15.01840100    2.85300000
 H                 12.19394800   16.25918500    1.72919900
 C                  9.57388100   16.85761400    2.13652600
 H                  9.21891200   15.81655200    2.03349000
 H                  8.72355700   17.50178000    2.39990000
 H                  9.95471300   17.15720700    1.14007000
 C                  6.23041900   18.33499700    3.83633100
 H                  5.95403100   19.39393300    3.88432700
 C                  5.88344000   16.09527000    3.00593300
 H                  5.32247200   15.39350500    2.37583300
 C                  7.32716100   14.14054000    3.72102800
 H                  8.40448700   14.01795100    3.49969800
 H                  7.15202300   13.64627200    4.69379400
 H                  6.74811100   13.60274600    2.95230300
 C                  4.29087100   17.91049100    2.23433400
 H                  4.19887000   19.00976500    2.22860500
 H                  4.33184600   17.56090000    1.18682800
 H                  3.36755500   17.49368900    2.67881500

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

Au Fe 0
SDD


