%chk=Scan.chk
%nprocshared=12
%mem=20GB
#p opt=(modredundant,noeigentest) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

IC

0 1
 Al                 2.48761000   10.84593300    1.80120600
 N                  1.69187200   12.05312000    0.32782200
 O                  4.09517200   10.87019300    1.05511900
 O                  1.35873000    9.48797000    1.45097100
 O                  2.05542900   12.01081200    3.07365700
 C                  2.68977800   13.09371700   -0.05426000
 H                  2.93720000   13.65339800    0.85160300
 H                  2.21514200   13.79392100   -0.75129600
 C                  3.94093300   12.52458100   -0.66307200
 C                  4.58216200   11.44247400   -0.04769100
 C                  5.76968800   10.93128800   -0.60452400
 C                  6.28134500   11.51992600   -1.75419500
 H                  7.19805900   11.11878500   -2.18031300
 C                  5.65452200   12.59840900   -2.38533400
 C                  4.47863700   13.08088600   -1.82344000
 H                  3.95945800   13.91119800   -2.29542800
 C                  1.36428200   11.23713100   -0.86637800
 H                  2.29505500   10.78325300   -1.21706200
 H                  1.01355100   11.90580300   -1.66113000
 C                  0.34931600   10.15610400   -0.62742800
 C                  0.44433200    9.29504200    0.47422200
 C                 -0.42762000    8.19122100    0.55435800
 C                 -1.39373500    8.02002200   -0.43133900
 H                 -2.06158100    7.16541700   -0.35521600
 C                 -1.53619000    8.89651900   -1.50669500
 C                 -0.64487700    9.95711400   -1.58537600
 H                 -0.70731300   10.65130800   -2.41908000
 C                  0.45199500   12.70532700    0.83520600
 H                 -0.22504700   11.90689900    1.15103300
 H                 -0.02848300   13.23829400    0.00673500
 C                  0.70558600   13.64630300    1.97783700
 C                  1.50953000   13.23187000    3.04540400
 C                  1.75944200   14.11366900    4.11231800
 C                  1.16753200   15.37106800    4.09443300
 H                  1.36031200   16.04890700    4.92277200
 C                  0.34490800   15.79691000    3.04821200
 C                  0.13811000   14.91907800    1.99029900
 H                 -0.47892700   15.22547400    1.14954700
 O                  3.34991200    9.76850100    3.26927600
 C                  3.42375500   10.07035500    4.68124800
 C                  3.21214700    8.69876800    4.23490900
 H                  4.40795400   10.39141000    5.00291600
 H                  2.57442200   10.63762500    5.03851700
 C                 -0.30375400    7.18749600    1.66588900
 H                  0.72842200    6.84074400    1.76401400
 H                 -0.60138900    7.60360200    2.63184900
 H                 -0.93552100    6.31958300    1.46660000
 C                  2.65730800   13.67440400    5.23348600
 H                  2.21743500   12.83652300    5.78120600
 H                  3.62312300   13.33153000    4.85030700
 H                  2.83266500   14.49004800    5.93836100
 C                 -0.29707700   17.15984300    3.08060800
 H                 -1.06906900   17.21298700    3.85542600
 H                  0.43579900   17.94180000    3.29985400
 H                 -0.76964300   17.39739400    2.12472800
 C                 -2.60896600    8.68313300   -2.54277700
 H                 -2.49510700    7.71399000   -3.03860600
 H                 -3.60531900    8.70052500   -2.09052200
 H                 -2.57608900    9.45894400   -3.31111400
 C                  6.44219200    9.76153600    0.05601900
 H                  6.69639400    9.98730600    1.09591200
 H                  5.78048800    8.88997900    0.07972400
 H                  7.35724100    9.48566300   -0.47293500
 C                  6.23902700   13.20691300   -3.63435600
 H                  7.21205800   13.66825100   -3.43661000
 H                  6.39173000   12.45189500   -4.41174800
 H                  5.58150600   13.97868900   -4.04157100
 H                  4.06121900    8.02180300    4.21794800
 C                  1.86458400    8.03320800    4.33150800
 H                  1.82377800    7.20930300    3.61088600
 H                  1.78464600    7.59987500    5.33260300
 O                  0.79893900    8.92738300    4.14843400
 C                 -0.51460300   11.29126800    4.59053000
 O                 -0.06777800   11.51248900    5.63370800
 O                 -1.01933300   11.09824500    3.56722100
 H                  0.78681000    9.13836700    3.20043200
 
 B 72 73 S 10 -0.1340
   
     


