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

IC

0 1
 Al                 1.88751500   10.65625200    1.82997300
 N                  1.26199600   11.81759700    0.24713500
 O                  3.64981900   10.88105100    1.51807800
 O                  1.12286200    9.15766200    1.25216200
 O                  1.25701200   11.74422500    3.08766800
 C                  2.33413000   12.81533300   -0.10249000
 H                  2.49228200   13.43184000    0.79031100
 H                  1.95719300   13.46985800   -0.89905200
 C                  3.61900800   12.15717200   -0.52505900
 C                  4.22703600   11.21199100    0.32215100
 C                  5.44935100   10.60707800   -0.04169000
 C                  6.02957700   10.96467200   -1.26550100
 H                  6.97111100   10.49393800   -1.55019500
 C                  5.43804900   11.89584200   -2.13714400
 C                  4.22607900   12.47897700   -1.74767700
 H                  3.73628200   13.19916700   -2.40268800
 C                  0.98177500   10.95269200   -0.95485400
 H                  1.93344700   10.47652300   -1.21886600
 H                  0.68933900   11.60420500   -1.78922900
 C                 -0.06757400    9.90732800   -0.70031700
 C                  0.08426600    9.03133600    0.39529200
 C                 -0.85605100    7.99303500    0.60242700
 C                 -1.93097000    7.87490100   -0.28651000
 H                 -2.65692400    7.07728400   -0.12185700
 C                 -2.11342200    8.74992000   -1.37298200
 C                 -1.16618500    9.76389900   -1.56032100
 H                 -1.27499000   10.45932000   -2.39278200
 C                  0.00158300   12.54735800    0.63285800
 H                 -0.74022200   11.77337700    0.86722000
 H                 -0.36009100   13.09973800   -0.24466100
 C                  0.17989100   13.47560200    1.80282000
 C                  0.77440100   12.99968100    2.99116200
 C                  0.87237000   13.85264700    4.11811300
 C                  0.38516900   15.16036900    4.01797700
 H                  0.46569800   15.81353400    4.88796600
 C                 -0.19074500   15.66239800    2.83666100
 C                 -0.27988700   14.79966200    1.73777700
 H                 -0.72140200   15.15491800    0.80645800
 O                  5.50983500   10.75916500    5.56848300
 C                  4.23315600   10.30358700    5.98794100
 C                  3.88612600    8.95600200    5.32871100
 H                  4.24045500   10.16593900    7.07678900
 H                  3.44224800   11.02789900    5.74618000
 C                 -0.67937100    7.05161300    1.76576900
 H                  0.26743300    6.49871900    1.68736400
 H                 -0.63766300    7.59966800    2.71506700
 H                 -1.49941500    6.32586400    1.80915400
 C                  1.50419100   13.33546400    5.38455700
 H                  1.01828700   12.41170900    5.72393700
 H                  2.56223300   13.08677800    5.22558600
 H                  1.44665600   14.08033800    6.18587800
 C                 -0.69916600   17.08425400    2.76929100
 H                 -1.54003600   17.24264500    3.45975500
 H                  0.08344200   17.80353700    3.04800900
 H                 -1.04362400   17.33548900    1.75942600
 C                 -3.29360000    8.58988600   -2.30370900
 H                 -3.26975900    7.61851100   -2.81789700
 H                 -4.24568700    8.63994900   -1.75710500
 H                 -3.30304800    9.37403400   -3.06965900
 C                  6.09809100    9.60520900    0.87777800
 H                  6.37881800   10.06561500    1.83489900
 H                  5.41481900    8.77859000    1.11059300
 H                  7.00396300    9.18965300    0.42333300
 C                  6.09910400   12.25417500   -3.44781100
 H                  7.04545700   12.78929600   -3.28390000
 H                  6.33566100   11.35645800   -4.03483000
 H                  5.45288400   12.89694200   -4.05668300
 H                  4.48429900    8.13708400    5.73189400
 C                  3.89125200    8.97845000    3.81028500
 H                  4.59538500    9.67769100    3.37224100
 H                  3.99950700    7.98656100    3.36387400
 O                  2.52787400    9.44715200    3.52658900
 C                  1.71053200    9.08071000    4.59498600
 O                  2.47289000    8.65215800    5.61608300
 O                  0.51636400    9.13080100    4.57965000
 H                  5.34999600   11.37961500    4.82230300
 O                  4.86977000   12.43157300    3.45498300
 H                  4.42335300   11.89506200    2.76124300
 H                  4.23474700   13.13109500    3.66243000
   
    


