%chk=CC.chk
%nprocshared=12
%mem=22GB
#p opt=(noeigentest) iop(1/8=10) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

IC

0 1
 Al                 1.93310100   10.32162500   -1.67243000
 N                  2.01803800   12.32753800   -0.97952700
 O                  3.86039500   10.34047600   -1.20821100
 O                  0.79139400    9.88442500   -0.38444700
 O                  1.40281100   10.86477500   -3.27231700
 C                  3.27548900   13.03341900   -1.36130400
 H                  3.40450200   12.91675800   -2.44048500
 H                  3.15157000   14.10251400   -1.15861700
 C                  4.50357800   12.53430700   -0.65180500
 C                  4.79318400   11.18031100   -0.61701700
 C                  5.92165700   10.65551100    0.00045800
 C                  6.79834000   11.56678400    0.58491500
 H                  7.69076200   11.18470000    1.07164400
 C                  6.55767600   12.94038200    0.57569700
 C                  5.39651200   13.40611800   -0.03756400
 H                  5.17922900   14.46972700   -0.04392200
 C                  1.87148300   12.36220500    0.50511300
 H                  2.69570900   11.78331100    0.93085900
 H                  1.99366500   13.39802400    0.84194500
 C                  0.56532300   11.81195100    1.00207200
 C                  0.12114100   10.56374700    0.55074400
 C                 -1.05307900   10.00988600    1.09369100
 C                 -1.75964700   10.73528200    2.04566800
 H                 -2.66855300   10.30250100    2.45743700
 C                 -1.34981400   11.99692800    2.48473800
 C                 -0.17822700   12.51643600    1.94760900
 H                  0.17676200   13.49154700    2.27111200
 C                  0.86884900   13.06790300   -1.58536700
 H                 -0.04226500   12.53334900   -1.30806200
 H                  0.81553000   14.06009000   -1.12258800
 C                  0.95207400   13.19488100   -3.07711200
 C                  1.20131700   12.05434800   -3.84411100
 C                  1.25722300   12.15645900   -5.24419300
 C                  1.01834600   13.38978900   -5.83612400
 H                  1.04120900   13.45828700   -6.92153200
 C                  0.73971400   14.53770300   -5.08850400
 C                  0.72768100   14.41921700   -3.70402500
 H                  0.52525600   15.29356700   -3.09060700
 O                  2.44279300    8.66592300   -2.14686400
 C                  2.04010100    7.87220900   -3.20904300
 C                  0.75947800    7.12485200   -2.84538700
 H                  2.80873800    7.12277700   -3.43832700
 H                  1.86290800    8.46154900   -4.12128500
 C                 -1.53268200    8.66774800    0.61995800
 H                 -0.71263300    7.94756900    0.56711400
 H                 -1.96383400    8.74114200   -0.38294600
 H                 -2.30275000    8.27283600    1.28664400
 C                  1.54575000   10.92583000   -6.05011400
 H                  0.85051100   10.12552400   -5.78775900
 H                  2.55304400   10.54503800   -5.85054700
 H                  1.46210400   11.12474200   -7.12060700
 C                  0.41705300   15.84144800   -5.77010100
 H                 -0.57425300   15.80264100   -6.23531900
 H                  1.13761900   16.07149400   -6.56055900
 H                  0.41778700   16.67111700   -5.05927600
 C                 -2.15339100   12.75722300    3.50836800
 H                 -1.70310200   13.73010200    3.71896100
 H                 -2.21969000   12.20750400    4.45269900
 H                 -3.17729200   12.92924300    3.16204200
 C                  6.16463600    9.17255800    0.03385900
 H                  6.28058300    8.75733100   -0.97368100
 H                  5.33815400    8.64392700    0.52019600
 H                  7.07767700    8.94699400    0.58550000
 C                  7.54127400   13.89805900    1.19442800
 H                  8.34542200   14.13381400    0.48970900
 H                  8.00261500   13.47080500    2.08791300
 H                  7.05787300   14.83740800    1.47127200
 H                  0.85977600    6.69267700   -1.85111600
 C                 -0.51394100    7.95217100   -2.98519600
 H                 -0.33642900    9.01851600   -3.08276600
 H                 -1.25627600    7.74279200   -2.21841900
 O                 -1.05415500    7.48446900   -4.25198100
 C                 -0.49326900    6.27676800   -4.56786100
 O                 -0.89641700    5.55106800   -5.41629300
 O                  0.53353800    6.03214400   -3.76613500
 H                  4.16046400    9.44298500   -1.42891700
 

   
     


