%nproc=20
%Mem=40000MB
%Chk=IE13_TSInt1a-2a_pI_more
#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                  7.77126200   12.88440800    8.35623100
 Fe                 8.16752900   17.18289600   11.31089500
 Au                 8.07067700   14.89740100    7.18308600
 C                  7.76534400   11.67361000   10.88612500
 H                  7.35928400   10.81180800   10.35294800
 C                  8.10053600   11.52193800   12.23633700
 H                  7.92955700   10.56292000   12.73577700
 C                  8.67600700   12.60075800   12.92779100
 H                  8.97623200   12.49374100   13.97549100
 C                  8.83431900   13.82824100   12.27813300
 H                  9.23511100   14.69032800   12.82009900
 C                  8.57178000   15.38575200   10.37056600
 C                  9.46019000   17.45558500    9.77658100
 H                 10.17438200   18.27331000    9.69336900
 C                  9.74739600   16.21704700   10.43389500
 H                 10.68983400   15.94680500   10.91248400
 C                  7.45625900   16.80028500   13.20229900
 H                  7.27077000   15.80360600   13.60617700
 C                  7.55532100   16.13709500    9.67069300
 H                  6.53476100   15.78736800    9.55130600
 C                  8.08718500   17.43809500    9.28595800
 C                  8.52102500   18.76779700   12.55198400
 H                  9.28782200   19.52481500   12.37871800
 C                  8.70020700   17.52432800   13.25954600
 H                  9.62747300   17.17688300   13.71908300
 C                  7.16827900   18.80746900   12.06016500
 H                  6.74188400   19.59188800   11.43151800
 C                  8.19211600   19.76275700    8.42588100
 H                  9.07070800   19.89572600    9.06180900
 C                  7.47595600   18.54140600    8.50058800
 C                  6.51075200   17.59130600   12.46246800
 H                  5.48290500   17.30596900   12.24210200
 C                  5.92426600   19.50031300    6.85498400
 H                  5.00598000   19.40026600    6.26624000
 C                  6.69758300   20.66196400    6.74368500
 H                  6.40266100   21.45625200    6.05046800
 C                  6.27283000   18.44844500    7.73283700
 C                  4.72307200   17.13400400    9.17658500
 H                  5.13068000   17.68225300   10.03039400
 C                  5.25696200   17.37126200    7.89454900
 C                  3.70905600   16.18610700    9.36779200
 C                  3.66731900   15.75059200    6.99469600
 C                  3.15940000   15.49865700    8.27738000
 H                  2.36784300   14.76249900    8.42825300
 C                  7.82683100   20.80341600    7.56629900
 H                  8.43066000   21.71642200    7.53556200
 C                  4.71319100   16.66888900    6.79756000
 H                  5.11279500   16.83667200    5.79331800
 C                  3.32519000   15.82199800   10.77831000
 C                  3.04146800   15.05194200    5.81084300
 F                  4.31469500   15.05577400   11.35202000
 F                  3.18553100   16.92460800   11.57418200
 F                  2.17325300   15.10880900   10.84951600
 F                  2.07948100   15.82140600    5.22522900
 F                  3.96048800   14.76297400    4.84322900
 F                  2.45078900   13.87307900    6.16950800
 C                  9.22869700   11.79253400    7.74681100
 C                  9.08616200   11.60311400    6.21922400
 H                  8.96230900   12.56900000    5.69553300
 H                 10.00388200   11.12045900    5.83383700
 H                  8.23496400   10.95123000    5.95811300
 C                 10.51101600   12.60830500    8.05255200
 H                 10.53791700   13.56127200    7.49320200
 H                 10.60310200   12.83694200    9.12968400
 H                 11.39300900   12.01141200    7.75321800
 C                  9.35277700   10.41720700    8.43567600
 H                 10.20152100    9.87779100    7.97493000
 H                  9.56900900   10.51443200    9.51206200
 H                  8.45740600    9.78916600    8.30956800
 C                  6.03609000   12.17578900    7.95010100
 C                  5.64766100   12.66681600    6.53489300
 H                  4.62795000   12.31208800    6.30015300
 H                  5.63814400   13.76790300    6.47482000
 H                  6.32964100   12.29019200    5.75442300
 C                  5.91031400   10.63889200    7.98934900
 H                  4.86393200   10.37238900    7.74899800
 H                  6.55377600   10.14927400    7.24024700
 H                  6.13008600   10.20875400    8.97967000
 C                  5.08033800   12.81704500    8.97955800
 H                  4.03646200   12.60554600    8.68251200
 H                  5.23673300   12.42917600    9.99927800
 H                  5.19834100   13.91266400    9.00800700
 C                  7.96225900   12.89669900   10.19746400
 C                  8.44715000   14.02029200   10.92999400
 C                  8.56667100   16.21887600    5.62044100
 C                  7.53896200   16.59678400    4.65192200
 C                  7.30705900   17.96029800    4.37157200
 C                  6.78515400   15.61460200    3.98312600
 H                  7.85788500   18.72929800    4.92033000
 H                  6.94704300   14.55763200    4.21709000
 C                  5.63911500   17.34082900    2.73131900
 C                  9.85765400   16.39715300    5.58824100
 C                 11.08595900   16.45163600    6.41654700
 H                 10.78762400   16.31571800    7.47196200
 H                 11.79012400   15.63666600    6.16145200
 C                 11.78381400   17.82395800    6.22784000
 C                 12.00344400   17.99880600    4.69937900
 H                 12.18586800   19.06701500    4.48826300
 H                 12.90419000   17.44352300    4.38624800
 C                 10.85863300   18.94709900    6.74933100
 H                 10.67975500   18.78241200    7.82214200
 H                  9.87634900   18.89852900    6.24468400
 C                 13.12405100   17.85019400    6.97055900
 H                 13.64250100   18.81261300    6.76502900
 H                 13.78056900   17.02974500    6.60300600
 O                 12.86986000   17.69924300    8.36836000
 O                 11.41781100   20.24150300    6.51158000
 C                 14.07212400   17.75313800    9.13770700
 H                 13.78239700   17.62383000   10.19285000
 H                 14.77738200   16.94523100    8.85106200
 H                 14.58730500   18.72949500    9.01757400
 C                 11.85113000   20.90054500    7.70457500
 H                 12.37673000   21.81637000    7.38889400
 H                 10.99139200   21.18676000    8.34678800
 H                 12.53768700   20.26959800    8.30198800
 C                 10.78879400   17.52731400    3.93252400
 H                 10.00834700   18.26985100    3.72493900
 C                 10.69477800   16.31932300    3.25289000
 C                 11.71164200   15.21386400    3.34872800
 H                 12.58280800   15.45253700    3.97520400
 H                 11.22705000   14.30480700    3.75386500
 H                 12.07099400   14.95202600    2.33592700
 C                  9.57849700   16.06452700    2.27835300
 H                  9.09239900   15.09124800    2.46493300
 H                  8.81468800   16.85555400    2.28039900
 H                 10.02149700   16.00693500    1.26382700
 C                  5.86265600   15.97945100    3.00117000
 H                  5.33091200   15.19293400    2.47323000
 C                  6.34665700   18.33932300    3.42156600
 H                  6.16078000   19.39960900    3.22963600
 I                  4.18006100   17.89891900    1.28432300

C H P O F 0
6-31G*
****
Au Fe 0
SDD 
****
I 0
LANL2DZ
D 1 1.0
0.289 1.0
****

Au Fe 0
SDD
I 0
LANL2DZ

