%chk=Scan-AlCat.chk
%nprocshared=12
%mem=22GB
#p opt=(modredundant,noeigentest) iop(1/8=1) wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

IC

0 1
 Al                 1.97374800   10.75963300   -1.72958600
 N                  1.62816100   12.01447400   -0.13683000
 O                  3.73854900   10.78250300   -1.58263500
 O                  1.00386700    9.42709400   -1.06133600
 O                  1.27015900   11.84327400   -2.94129100
 C                  2.79048200   12.93725200    0.02149700
 H                  2.87148500   13.50780000   -0.90959600
 H                  2.56520800   13.64992900    0.82533200
 C                  4.08144200   12.21937400    0.30207000
 C                  4.49230200   11.17824200   -0.54378100
 C                  5.71728300   10.52706300   -0.30446400
 C                  6.49407100   10.93481300    0.77654200
 H                  7.43889700   10.42507400    0.96023800
 C                  6.10012600   11.96522900    1.63724700
 C                  4.88231700   12.59097000    1.38357200
 H                  4.54035800   13.39017900    2.03884800
 C                  1.45133700   11.21704100    1.11233600
 H                  2.38254800   10.66215600    1.26887000
 H                  1.33870100   11.91199200    1.95447100
 C                  0.28553200   10.26804300    1.06002400
 C                  0.14407800    9.40054800   -0.03118200
 C                 -0.91526800    8.47497800   -0.06046800
 C                 -1.80513000    8.44192600    1.00914900
 H                 -2.62174400    7.72162400    0.98575800
 C                 -1.69085300    9.30527500    2.10506100
 C                 -0.63722100   10.21560800    2.10653100
 H                 -0.52273900   10.90550500    2.94080300
 C                  0.38953200   12.80400800   -0.40037700
 H                 -0.42675600   12.08238500   -0.51288400
 H                  0.16712800   13.41109100    0.48684000
 C                  0.47634700   13.67678900   -1.62170600
 C                  0.89685700   13.12884600   -2.84315200
 C                  0.92047800   13.93590000   -3.99688200
 C                  0.52645200   15.26732200   -3.89292800
 H                  0.54574000   15.88652600   -4.78884900
 C                  0.11603500   15.83722800   -2.68318200
 C                  0.10692100   15.02131900   -1.55483500
 H                 -0.20213700   15.43272400   -0.59552300
 O                  2.20274800    9.35679100   -3.21395600
 C                  2.40825900    9.56405100   -4.62690500
 C                  3.48734500   10.49048000   -4.83322700
 H                  1.43469700    9.97648400   -4.97185700
 H                  2.47029500    8.61653800   -5.15517100
 C                 -1.05132100    7.55203800   -1.24066800
 H                 -0.14350700    6.95425900   -1.38372800
 H                 -1.21119800    8.11240700   -2.17011900
 H                 -1.89371600    6.86636800   -1.10890200
 C                  1.38998100   13.35667500   -5.30342800
 H                  0.94548100   12.37318900   -5.48720700
 H                  2.47841900   13.22327200   -5.31005900
 H                  1.13328300   14.01569600   -6.13868100
 C                 -0.31062100   17.28254800   -2.61630200
 H                 -1.27197700   17.43862000   -3.12152700
 H                  0.41942700   17.93920000   -3.10323000
 H                 -0.42459900   17.61639700   -1.57995500
 C                 -2.67656300    9.23666700    3.24504600
 H                 -2.61795100    8.27268100    3.76497600
 H                 -3.70780000    9.34934000    2.89009200
 H                 -2.48745500   10.02378100    3.98181900
 C                  6.15385500    9.41160400   -1.21363900
 H                  6.36371600    9.78337100   -2.22352100
 H                  5.37280600    8.64929600   -1.31086800
 H                  7.06156800    8.93117600   -0.83591500
 C                  6.97303400   12.37585900    2.79710400
 H                  7.89919200   12.85121500    2.45120400
 H                  7.26267100   11.51132200    3.40581300
 H                  6.45824400   13.08847500    3.44922300
 H                  3.54793600   11.36239600   -4.19541000
 C                  4.24115900    9.30023000   -4.54668200
 H                  3.89955900    8.55258500   -3.84852600
 H                  5.28138000    9.49917600   -4.21212900
 O                  4.44474800    8.72500000   -5.86822200
 C                  4.24021600    9.68008200   -6.78539900
 O                  3.71448300   10.78463900   -6.20180900
 O                  4.46628200    9.57955700   -7.95565700
 H                  1.44609200    8.76156300   -3.08127600
   
 B 69 40 S 6 -0.096    


