%chk=H-Cat.chk
%nprocshared=8
%mem=20GB
#p opt=(noeigentest) iop(1/8=1) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

IC

1 1
 O                 -5.32227663    0.78654136    1.18273190
 C                 -6.05578363   -0.34605164    1.28909390
 C                 -7.45505563   -0.26058964    1.23283490
 C                 -8.19759963   -1.43079364    1.34070890
 C                 -7.60249963   -2.68515764    1.49616290
 C                 -6.21490363   -2.74302164    1.54646190
 C                 -5.43343163   -1.59179864    1.45332290
 H                 -1.30630363   -1.99215564    0.47767590
 H                 -9.28170363   -1.36298764    1.29304390
 H                 -5.71962263   -3.70273964    1.66541690
 H                 -4.60021863   -1.90821964   -0.90790910
 Al                -3.87725463    0.78333136    0.20923590
 H                 -1.64437263   -0.84219264    1.77526690
 O                 -2.51573763    1.71332136    0.80890090
 N                 -3.21148963   -1.06116664    0.40797790
 O                 -4.08223163    0.85250336   -1.53096510
 C                 -1.40293663    1.40912436    0.08749890
 C                 -0.99381363    0.07482936   -0.03958810
 C                  0.09953737   -0.23191464   -0.84612710
 C                  0.79420037    0.75569336   -1.53234910
 C                  0.37654237    2.07981736   -1.37558510
 C                 -0.70832263    2.42837336   -0.57996210
 C                 -1.73708163   -1.01258464    0.70044090
 H                  0.39099937   -1.27219264   -0.95905310
 H                  0.90174237    2.86681136   -1.91141710
 C                 -3.26444463    0.15650836   -2.35266710
 C                 -2.68747363    0.79442836   -3.45679810
 C                 -1.83828363    0.06109936   -4.28291310
 C                 -1.53866063   -1.27934264   -4.04605710
 C                 -2.10639463   -1.88362264   -2.92724310
 C                 -2.95520963   -1.18379064   -2.07833710
 H                 -1.38230663    0.56232636   -5.13303410
 H                 -1.86647963   -2.91784864   -2.69438910
 C                 -3.51142763   -1.83250964   -0.84098710
 H                 -3.10964163   -2.84316064   -0.72178010
 C                 -3.93337463   -1.67622664    1.56987690
 H                 -3.61495863   -2.71818364    1.66727390
 H                 -3.60006663   -1.13746264    2.46121590
 C                 -1.17237863    3.85102636   -0.44913210
 H                 -1.06549863    4.21133036    0.57887390
 H                 -0.59608163    4.50887536   -1.10301410
 H                 -2.23154063    3.94509936   -0.70598810
 C                 -2.95903363    2.25225936   -3.69165010
 H                 -2.41203063    2.61633436   -4.56386210
 H                 -4.02519963    2.44028836   -3.84991910
 H                 -2.65795563    2.84489736   -2.82216710
 C                 -0.62690863   -2.05407364   -4.96197310
 H                 -1.19930963   -2.68829364   -5.64746810
 H                 -0.01074263   -1.38509264   -5.56748710
 H                  0.04024437   -2.70789864   -4.39343210
 C                 -8.10711363    1.07995236    1.04728690
 H                 -7.85490163    1.76030936    1.86599290
 H                 -7.76485863    1.55708236    0.12421890
 H                 -9.19366463    0.98113036    1.00327390
 C                 -8.44603363   -3.93038864    1.58535290
 H                 -9.21160763   -3.83809764    2.36140590
 H                 -8.96400363   -4.12420564    0.64054590
 H                 -7.83530463   -4.80591164    1.81767990
 C                  1.93185037    0.41202036   -2.45747110
 H                  1.67149037    0.63915836   -3.49660710
 H                  2.83401337    0.98204136   -2.21593810
 H                  2.17728037   -0.65096864   -2.40173410
 H                 -2.55056679    2.34064741    1.53474452
   
    


