%chk=Alk-Isom.chk
%nprocshared=4
%mem=6GB
#p opt=(noeigentest,modredundant) iop(1/8=10) wb97xd/6-31G* nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 2.72056000   10.86224100    1.94603400
 N                  1.82402200   11.89821000    0.27835100
 O                  4.31199500   11.00668900    1.17631600
 O                  1.48313000    9.41364800    1.31548600
 O                  1.98356900   12.02628100    3.06365400
 C                  2.77144200   12.98116900   -0.12358700
 H                  2.97063500   13.58274200    0.76710600
 H                  2.27122400   13.63019800   -0.85163300
 C                  4.06459400   12.46839000   -0.68583400
 C                  4.78201500   11.50902300    0.03644100
 C                  6.02314700   11.05758200   -0.44998900
 C                  6.50194500   11.57610000   -1.64697200
 H                  7.46055900   11.22273900   -2.02032700
 C                  5.79470500   12.52735700   -2.38877500
 C                  4.57149100   12.95835800   -1.88840300
 H                  3.99315600   13.69490300   -2.44054500
 C                  1.57945700   11.03430600   -0.91042700
 H                  2.51666700   10.52358600   -1.14594700
 H                  1.33069500   11.67412200   -1.76439400
 C                  0.48965900   10.01532200   -0.72531700
 C                  0.48776200    9.18523200    0.38272300
 C                 -0.46375300    8.19185700    0.58831800
 C                 -1.44313700    8.04682100   -0.39009400
 H                 -2.19751600    7.27675100   -0.25669600
 C                 -1.49212600    8.86290000   -1.52133300
 C                 -0.51872600    9.84704400   -1.67015500
 H                 -0.53705300   10.49961800   -2.53778200
 C                  0.53333200   12.52066800    0.69841600
 H                 -0.11732300   11.71737500    1.05437900
 H                  0.05610200   12.96614700   -0.18236800
 C                  0.69776200   13.55629100    1.77154100
 C                  1.43071900   13.23186600    2.91796600
 C                  1.59171800   14.19494400    3.93157400
 C                  1.00348200   15.44389100    3.76851100
 H                  1.13495500   16.18553600    4.55322600
 C                  0.26349800   15.78417500    2.63238600
 C                  0.12787600   14.82116900    1.63934600
 H                 -0.42695000   15.05380000    0.73389400
 O                  4.86892700   11.31794600    4.58454500
 C                  3.93830000   10.76354200    5.51720100
 C                  4.81513500    9.90102700    4.73146600
 H                  4.16331400   10.95654300    6.56420700
 H                  2.90115300   10.85944800    5.21321000
 C                 -0.41806100    7.32561400    1.81603300
 H                  0.52420900    6.76979700    1.88348100
 H                 -0.51809600    7.92028700    2.72978500
 H                 -1.22730400    6.59495700    1.80035000
 C                  2.39607400   13.85105000    5.15260100
 H                  1.88719600   13.09650400    5.76123000
 H                  3.36345000   13.42589800    4.87427600
 H                  2.55924800   14.73484500    5.77367800
 C                 -0.35095300   17.15355000    2.49396200
 H                 -1.08701200   17.34279200    3.28194300
 H                  0.40804400   17.93900300    2.56489500
 H                 -0.85686700   17.26413800    1.53185100
 C                 -2.57292800    8.67135600   -2.55255000
 H                 -2.46606100    7.70555700   -3.05587500
 H                 -3.56414000    8.69079200   -2.09122500
 H                 -2.53646100    9.45312600   -3.31385000
 C                  6.78841400   10.03138000    0.33586100
 H                  6.97813100   10.37942400    1.35546200
 H                  6.22328100    9.09790900    0.42356700
 H                  7.74682100    9.80985500   -0.13924900
 C                  6.34766100   13.06013900   -3.68613100
 H                  7.31374400   13.55245800   -3.53561700
 H                  6.50399600   12.25747500   -4.41398700
 H                  5.66801500   13.78924800   -4.13369900
 H                  5.69515200    9.47579700    5.21579700
 C                  4.30818600    9.09923100    3.55514900
 H                  5.07993000    9.13077000    2.77125900
 H                  4.23706800    8.05487700    3.89526500
 O                  3.07542400    9.51910900    3.07458900
 H                  1.98222965   11.72159011    3.97401748
 
 B 41 72 S 6 -0.155





