%chk=Scan5.chk
%nprocshared=8
%mem=20GB
#p opt=(modredundant,noeigentest) wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

IC

0 1
 Al                 2.47281000   10.83316100    1.71022900
 N                  1.86330600   11.96268800    0.14464900
 O                  3.93966500   10.30624600    0.79053800
 O                  1.43248700    9.34960700    1.39831700
 O                  1.29717700   11.56829500    2.88749200
 C                  2.96650000   12.87121300   -0.27200800
 H                  3.15233900   13.54688100    0.56698800
 H                  2.60575300   13.48243800   -1.10731300
 C                  4.24405300   12.17777700   -0.68123600
 C                  4.66667000   10.96707000   -0.10675100
 C                  5.88708000   10.39888900   -0.53528300
 C                  6.64625100   11.05358700   -1.49512900
 H                  7.58153400   10.60065800   -1.81649500
 C                  6.24449500   12.26227800   -2.07029000
 C                  5.03505000   12.79796800   -1.65075800
 H                  4.68178100   13.72723400   -2.09141900
 C                  1.53380500   11.02969800   -0.97391400
 H                  2.44705300   10.48827100   -1.22344300
 H                  1.25801000   11.63047700   -1.84730200
 C                  0.42883100   10.05249500   -0.66510400
 C                  0.45487000    9.23908000    0.47983900
 C                 -0.55947300    8.27867800    0.66161000
 C                 -1.56809700    8.16866400   -0.28818600
 H                 -2.34208700    7.42049800   -0.13513900
 C                 -1.62569700    8.98335400   -1.41933000
 C                 -0.61422100    9.91992700   -1.58277800
 H                 -0.62425500   10.57134100   -2.45266900
 C                  0.65886400   12.77955900    0.46162200
 H                 -0.17507100   12.07930300    0.55045800
 H                  0.45162000   13.43837600   -0.38860500
 C                  0.75502100   13.56819600    1.73495700
 C                  0.97959200   12.86435700    2.93369100
 C                  0.82645800   13.53745800    4.15698000
 C                  0.55624900   14.90675900    4.13991800
 H                  0.45190900   15.42141100    5.09270900
 C                  0.41151400   15.63313800    2.96097800
 C                  0.49522000   14.93193500    1.75791100
 H                  0.33623700   15.45244000    0.81658700
 O                  3.90000400   12.17993100    2.55026200
 C                  4.00505400   12.50201200    3.95699400
 C                  4.92014700   11.54581400    3.34884600
 H                  4.32658600   13.51925300    4.14442100
 H                  3.18685300   12.12786800    4.55855600
 C                 -0.54612200    7.37831400    1.86553600
 H                  0.42056600    6.87986200    1.98324700
 H                 -0.74191300    7.93310500    2.78833800
 H                 -1.31428500    6.60755500    1.77687500
 C                  0.91422800   12.79816600    5.46635200
 H                  1.04989400   11.72815000    5.30440800
 H                  1.74253000   13.16211100    6.08286000
 H                 -0.00374300   12.93614800    6.04543900
 C                  0.17765000   17.12189200    2.97873900
 H                 -0.24440900   17.44651000    3.93305400
 H                  1.11460700   17.67013400    2.83049200
 H                 -0.50790000   17.42776400    2.18370000
 C                 -2.74035000    8.83687000   -2.42267100
 H                 -2.69995700    7.86292500   -2.92090000
 H                 -3.72012500    8.91578500   -1.94205400
 H                 -2.68172400    9.60858400   -3.19374200
 C                  6.34063300    9.09402200    0.05810200
 H                  6.66521000    9.21889100    1.09658200
 H                  5.53171400    8.35906700    0.06401900
 H                  7.18232800    8.68306500   -0.50400300
 C                  7.09674000   12.94364000   -3.11002100
 H                  8.04373400   13.29072400   -2.68334200
 H                  7.34310300   12.26345100   -3.93125500
 H                  6.58637600   13.81139200   -3.53450800
 H                  5.93035300   11.84805800    3.09634700
 C                  4.72684400   10.06395800    3.54525400
 H                  5.28355000    9.49473200    2.80676200
 H                  5.00782700    9.77143700    4.55518400
 O                  3.33202400    9.75376800    3.33023400
 H                  1.36725800    8.83474400    2.93259000
 C                  2.62879800    9.12566700    4.34786200
 O                  3.05332000    9.03146300    5.45896900
 O                  1.49811000    8.65910000    3.91262700
 
 B 75 41 S 10 -0.240
   
     


