%chk=Alk-Isom.chk
%nprocshared=12
%mem=20GB
#p opt=(noeigentest,modredundant) iop(1/8=10) wb97xd/6-31G* nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 2.81629900   10.67879400    1.73745000
 N                  1.91163600   11.91498100    0.25889500
 O                  4.40805800   10.91619500    0.97966900
 O                  1.69129600    9.35406700    1.35930900
 O                  2.10627000   12.02733900    3.00668800
 C                  2.85739100   12.99188800   -0.16455800
 H                  3.11163400   13.56911400    0.73070200
 H                  2.33247400   13.66799700   -0.85214200
 C                  4.11292800   12.47105100   -0.80563100
 C                  4.83499600   11.45608700   -0.16399100
 C                  6.03649100   10.98802000   -0.73138800
 C                  6.47809100   11.55066600   -1.92504000
 H                  7.40623000   11.18471800   -2.36235000
 C                  5.76738200   12.55952400   -2.58711000
 C                  4.57982000   13.00173700   -2.00968200
 H                  3.99888700   13.78007400   -2.50207800
 C                  1.61594500   11.04324600   -0.91852600
 H                  2.55637100   10.56288500   -1.20753300
 H                  1.30742900   11.68331300   -1.75579400
 C                  0.56837500   10.00310000   -0.64593000
 C                  0.68725900    9.19545700    0.49388300
 C                 -0.27479600    8.19427700    0.73796000
 C                 -1.31938800    8.03081400   -0.16763400
 H                 -2.06005600    7.25559200    0.02525100
 C                 -1.45690200    8.82996300   -1.30877200
 C                 -0.50063300    9.81890700   -1.52396200
 H                 -0.58056400   10.46524900   -2.39651200
 C                  0.63480100   12.53239900    0.72031300
 H                 -0.00242800   11.72777600    1.09867900
 H                  0.12625500   12.97531600   -0.14530100
 C                  0.82542600   13.58254600    1.77817400
 C                  1.56280100   13.29769800    2.92215400
 C                  1.80542800   14.25591200    3.90916200
 C                  1.22513200   15.51236600    3.73159400
 H                  1.39809600   16.27077800    4.49242300
 C                  0.45668000   15.83502300    2.61084400
 C                  0.28207200   14.85766100    1.63303700
 H                 -0.28600000   15.08595100    0.73416600
 O                  2.75180900   10.90481300    5.26272100
 C                  2.56462100    9.47484200    5.36199900
 C                  3.88210700   10.01409400    4.99388100
 H                  2.41105000    9.14234800    6.38767500
 H                  1.90911200    9.04810900    4.61373400
 C                 -0.15166300    7.33958700    1.96949200
 H                  0.82554100    6.84590700    2.01620900
 H                 -0.24137100    7.94108300    2.88238000
 H                 -0.92896500    6.56954500    1.99217100
 C                  2.67595900   13.96373100    5.10151700
 H                  2.21447200   13.24145400    5.78220400
 H                  3.64219900   13.54525700    4.79640500
 H                  2.86753500   14.88259700    5.66188700
 C                 -0.14642700   17.20849900    2.46421500
 H                 -0.89769600   17.39473800    3.24069000
 H                  0.61734000   17.98871500    2.55824300
 H                 -0.63342400   17.32739400    1.49164600
 C                 -2.60248300    8.61622700   -2.26703400
 H                 -2.52406200    7.64712900   -2.77511000
 H                 -3.56776100    8.62989300   -1.74749300
 H                 -2.62512600    9.39327600   -3.03770100
 C                  6.79418500    9.88988600   -0.03739400
 H                  7.04125800   10.16582700    0.99432200
 H                  6.19668800    8.97198700    0.02122800
 H                  7.72473600    9.65834300   -0.56494100
 C                  6.27833500   13.13805800   -3.88353500
 H                  7.24914600   13.63045000   -3.74862400
 H                  6.41517200   12.36025900   -4.64449200
 H                  5.58249900   13.88059200   -4.28750800
 H                  4.46789200   10.09062500    5.94421600
 C                  4.66026400   10.01975700    3.80048200
 H                  5.23686300   10.94175000    3.63373700
 H                  5.30527100    9.14226800    3.64385900
 O                  3.42744300    9.96367300    3.26577100
 H                  2.30680500   11.66488700    3.93531800
 
 B 41 72 S 5 -0.024





