%nproc=8
%Mem=20000MB
%Chk=IE13_TSInt1b-2b_pCl_2_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                  7.84913400   12.79908700    8.31348300
 Fe                 8.46845900   17.17990700   11.11916700
 Au                 8.16724800   14.75602200    7.05198900
 C                  7.61608700   11.72436600   10.88988900
 H                  7.13113000   10.88572000   10.38595600
 C                  7.93175500   11.59086600   12.24734100
 H                  7.66431700   10.67297300   12.78051900
 C                  8.61658600   12.62859400   12.90066200
 H                  8.90889500   12.52684300   13.95112900
 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    9.43666800
 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    7.94639900
 H                  9.61341400   19.60543600    8.40192800
 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    7.08149000
 H                  8.89955800   21.40826800    6.89081400
 C                  4.87338400   16.62250700    6.91319600
 H                  5.26549900   16.70171600    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    7.89906800
 C                  9.40054100   11.50537900    6.36511800
 H                  9.43894600   12.47705900    5.84174500
 H                 10.31005500   10.93731700    6.09711200
 H                  8.53213500   10.94099100    5.98378400
 C                 10.58633700   12.45320800    8.40881900
 H                 10.61380300   13.49592500    8.04659800
 H                 10.61651900   12.48263300    9.51198600
 H                 11.50139600   11.94426200    8.05382700
 C                  9.33824800   10.28819300    8.57527500
 H                 10.26607700    9.76067600    8.28321300
 H                  9.33606000   10.36579400    9.67458600
 H                  8.49009000    9.66090700    8.26210000
 C                  6.13980600   12.08435000    7.81707400
 C                  5.85326700   12.52328000    6.35972500
 H                  4.86371200   12.13431400    6.05994700
 H                  5.82158300   13.62105100    6.26075200
 H                  6.60356500   12.14097500    5.64717600
 C                  5.99433200   10.55073800    7.89377400
 H                  4.95028600   10.29167500    7.63701200
 H                  6.64783000   10.03990900    7.16718200
 H                  6.19194400   10.13677600    8.89498800
 C                  5.12816000   12.77879400    8.75631900
 H                  4.10705200   12.62403700    8.36490100
 H                  5.17325600   12.38985300    9.78577800
 H                  5.30377800   13.86794000    8.79290100
 C                  7.93417800   12.89700400   10.16051200
 C                  8.52204300   13.99293600   10.85706300
 C                  8.51378200   16.16089900    5.48232900
 C                  7.52510400   16.11574400    4.40014200
 C                  7.35968200   14.91678500    3.66696000
 C                  6.69127800   17.21592900    4.10595000
 H                  7.98251100   14.04941800    3.90975100
 H                  6.79557000   18.13613800    4.68524100
 C                  5.58876000   15.93620700    2.37609300
 C                  9.67129100   16.69959000    5.70350200
 C                 10.92298600   16.63533900    6.48421800
 H                 11.25750000   17.64164300    6.79407000
 H                 10.74108800   16.06815700    7.41286900
 C                 12.02032700   15.95102600    5.63087800
 C                 12.16060900   16.78339800    4.31637200
 H                 12.88627800   17.60026700    4.47686700
 H                 12.57658700   16.13165700    3.53052700
 C                 13.34153700   15.94473100    6.42979900
 H                 13.61694900   16.98862300    6.68109200
 H                 14.14835700   15.51307100    5.80884600
 C                 11.60485200   14.50759500    5.29169400
 H                 10.66554400   14.49817900    4.69793100
 H                 11.40642500   13.94753800    6.22745400
 O                 12.66100900   13.89681800    4.55129700
 O                 13.18619900   15.22470300    7.65956500
 C                 12.36028700   12.54255100    4.22358100
 H                 13.18604400   12.17019600    3.59665000
 H                 12.28354300   11.91140500    5.13444300
 H                 11.40603300   12.45921300    3.65994200
 C                 13.88345800   13.97441700    7.69028200
 H                 13.60644600   13.48305300    8.63626800
 H                 13.59970400   13.32184400    6.84123800
 H                 14.98325400   14.12294500    7.66731600
 C                 10.82756500   17.34658700    3.87036700
 H                 10.24089000   16.75012600    3.15908100
 C                 10.39004700   18.63228400    4.13033500
 C                 11.12705100   19.61243000    5.00449000
 H                 12.12121000   19.27356600    5.33290500
 H                 11.24538700   20.57337400    4.47095600
 H                 10.51908100   19.83106500    5.90131300
 C                  9.16666000   19.19978600    3.46322800
 H                  9.48358700   20.00749000    2.77365200
 H                  8.60744700   18.44800800    2.88725800
 H                  8.49434200   19.66778500    4.20458300
 C                  6.40418300   14.82526500    2.64825100
 H                  6.28048100   13.89805400    2.08128700
 C                  5.72184900   17.13217900    3.09687000
 H                  5.07512700   17.98605100    2.87732400
 Cl                 4.36626900   15.82023500    1.11684500

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

