%nproc=8
%Mem=20000MB
%Chk=IE13_TSInt1b-2b_pCl_2_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                  7.84913400   12.80048700    8.31348300
 Fe                 8.46845900   17.17990700   11.11916700
 Au                 8.16724800   14.75742200    7.04778900
 C                  7.61608700   11.72436600   10.89128900
 H                  7.13113000   10.88572000   10.38735600
 C                  7.93175500   11.59086600   12.24874100
 H                  7.66431700   10.67297300   12.78191900
 C                  8.61658600   12.62859400   12.90206200
 H                  8.90889500   12.52824300   13.95252900
 C                  8.89470300   13.81134800   12.20948300
 H                  9.38250400   14.64774400   12.71918800
 C                  8.74584800   15.32208200   10.24681700
 C                  9.74099500   17.30844400    9.55214200
 H                 10.49674200   18.08032900    9.41051900
 C                  9.96900000   16.08329500   10.25829400
 H                 10.90284000   15.77743000   10.73191700
 C                  7.83867900   16.92765000   13.06442100
 H                  7.63856100   15.96577600   13.53864700
 C                  7.76095800   16.10083300    9.53585700
 H                  6.72339000   15.79725800    9.43526800
 C                  8.36290000   17.34596400    9.08216100
 C                  8.93268300   18.81749300   12.25356300
 H                  9.71401600   19.53694600   12.00240200
 C                  9.10685000   17.60829700   13.01955000
 H                 10.04441500   17.25163700   13.45002000
 C                  7.55889300   18.87731600   11.82553900
 H                  7.12512800   19.64245200   11.17833200
 C                  8.62163500   19.54227100    7.94779900
 H                  9.61341400   19.60543600    8.40332800
 C                  7.79127200   18.43236200    8.25037000
 C                  6.88347600   17.71015300   12.32964800
 H                  5.83606500   17.45085300   12.18255400
 C                  6.11630500   19.43942100    6.76085200
 H                  5.11652700   19.39504000    6.31436800
 C                  6.96612400   20.51079100    6.45976900
 H                  6.64218600   21.29733300    5.77087300
 C                  6.49277100   18.41131900    7.65547900
 C                  4.92460700   17.25873600    9.24809400
 H                  5.36020100   17.84866400   10.05769200
 C                  5.44053700   17.39512500    7.94673800
 C                  3.89691900   16.34057100    9.51455300
 C                  3.81585000   15.74086800    7.17934000
 C                  3.31788700   15.58936500    8.48213600
 H                  2.51713200   14.87772600    8.69518500
 C                  8.22355600   20.56780100    7.08289000
 H                  8.89815800   21.40966800    6.89361400
 C                  4.87338400   16.62250700    6.91319600
 H                  5.26689900   16.70031600    5.89748200
 C                  3.52310800   16.07320700   10.94973400
 C                  3.17958900   14.97499600    6.04466600
 F                  4.46245500   15.25892000   11.53743100
 F                  3.48800500   17.21971000   11.69374200
 F                  2.32056600   15.45748000   11.07920500
 F                  2.07691200   15.61607900    5.56125600
 F                  4.03750700   14.81015100    4.99583700
 F                  2.77088900   13.72989900    6.43990200
 C                  9.34682700   11.67532900    7.90046800
 C                  9.40054100   11.50537900    6.36651800
 H                  9.43894600   12.47705900    5.84314500
 H                 10.31005500   10.93731700    6.09851200
 H                  8.53213500   10.94099100    5.98518400
 C                 10.58493700   12.45320800    8.41021900
 H                 10.61100300   13.49732500    8.04939800
 H                 10.61651900   12.48123300    9.51338600
 H                 11.50139600   11.94706200    8.05382700
 C                  9.33824800   10.28819300    8.57527500
 H                 10.26607700    9.76067600    8.28461300
 H                  9.33606000   10.36579400    9.67458600
 H                  8.49009000    9.66090700    8.26210000
 C                  6.13980600   12.08435000    7.81847400
 C                  5.85326700   12.52188000    6.36112500
 H                  4.86371200   12.13291400    6.06134700
 H                  5.82158300   13.61965100    6.26075200
 H                  6.60356500   12.13957500    5.64857600
 C                  5.99433200   10.55073800    7.89517400
 H                  4.95028600   10.29027500    7.63841200
 H                  6.64783000   10.03990900    7.16858200
 H                  6.19194400   10.13677600    8.89638800
 C                  5.12816000   12.77879400    8.75631900
 H                  4.10705200   12.62403700    8.36490100
 H                  5.17325600   12.38985300    9.78717800
 H                  5.30377800   13.86794000    8.79290100
 C                  7.93417800   12.89560400   10.16051200
 C                  8.52204300   13.99293600   10.85706300
 C                  8.52918200   16.16089900    5.48652900
 C                  7.53630400   16.11854400    4.40154200
 C                  7.36668200   14.91958500    3.66836000
 C                  6.69827800   17.21592900    4.10735000
 H                  7.98811100   14.05081800    3.91115100
 H                  6.80117000   18.13753800    4.68664100
 C                  5.59156000   15.93620700    2.37889300
 C                  9.69789100   16.72759000    5.64610200
 C                 10.92298600   16.63393900    6.47861800
 H                 11.27010000   17.62904300    6.80947000
 H                 10.70048800   16.05975700    7.39326900
 C                 12.02312700   15.94542600    5.63647800
 C                 12.14240900   16.77359800    4.31917200
 H                 12.86387800   17.59746700    4.46286700
 H                 12.54438700   16.12605700    3.52212700
 C                 13.34573700   15.94333100    6.42839900
 H                 13.62254900   16.98722300    6.67689200
 H                 14.15255700   15.50887100    5.80884600
 C                 11.60905200   14.50059500    5.29869400
 H                 10.66554400   14.48977900    4.71053100
 H                 11.41622500   13.93913800    6.23445400
 O                 12.66240900   13.89401800    4.55129700
 O                 13.19179900   15.22610300    7.66096500
 C                 12.36168700   12.53975100    4.22218100
 H                 13.18604400   12.16879600    3.59245000
 H                 12.28774300   11.90860500    5.13304300
 H                 11.40603300   12.45641300    3.66134200
 C                 13.88625800   13.97441700    7.69168200
 H                 13.60784600   13.48445300    8.63906800
 H                 13.60110400   13.32184400    6.84403800
 H                 14.98605400   14.12014500    7.66871600
 C                 10.78836500   17.32138700    3.90536700
 H                 10.21149000   16.74452600    3.17028100
 C                 10.36764700   18.62668400    4.14853500
 C                 11.11585100   19.60123000    5.01569000
 H                 12.10581000   19.25536600    5.34410500
 H                 11.23838700   20.55797400    4.47515600
 H                 10.50788100   19.82966500    5.91111300
 C                  9.15966000   19.20258600    3.46602800
 H                  9.50038700   19.99769000    2.77365200
 H                  8.59484700   18.45500800    2.89145800
 H                  8.48874200   19.69158500    4.19618300
 C                  6.40838300   14.82666500    2.65105100
 H                  6.28468100   13.89945400    2.08548700
 C                  5.72604900   17.13217900    3.10107000
 H                  5.07652700   17.98465100    2.88432400
 Cl                 4.36766900   15.82023500    1.11964500

C H P O F 0
6-31G*
****
Au Fe 0
SDD 
****
Cl 0
LANL2DZ
D 1 1.0
0.64 1.0
****

Au Fe 0
SDD
Cl 0
LANL2DZ

