%chk=Guess-Isom.chk
%nprocshared=8
%mem=30GB
#p opt=(ts,calcfc,noeigentest) freq=noraman iop(1/8=1) wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

-1 1
 Al                 2.27647900   11.51141100    1.89521500
 N                  1.68668400   12.35077700    0.00335100
 O                  3.93004100   11.26045800    1.16619300
 O                  1.62794900    9.85510700    1.57636300
 O                  0.75274800   12.24415000    2.60292800
 C                  2.76306400   13.23872200   -0.52068900
 H                  2.91608700   14.01704500    0.23551600
 H                  2.39601500   13.73669200   -1.42673900
 C                  4.06204000   12.54709400   -0.82727800
 C                  4.57807400   11.60315300    0.07484400
 C                  5.82792600   11.00525200   -0.20277300
 C                  6.51552400   11.36922700   -1.35254200
 H                  7.48029600   10.90624900   -1.54966000
 C                  6.01116900   12.30256300   -2.26395200
 C                  4.77566900   12.87379700   -1.98029700
 H                  4.35174300   13.60096900   -2.66923400
 C                  1.46578200   11.20054400   -0.92211200
 H                  2.42003500   10.68040300   -1.02423400
 H                  1.19362800   11.59288800   -1.90980700
 C                  0.41233200   10.23724500   -0.43951100
 C                  0.56571200    9.60739400    0.80548300
 C                 -0.40950100    8.69425000    1.24746800
 C                 -1.49785600    8.42160700    0.42694400
 H                 -2.24818500    7.71509300    0.77517000
 C                 -1.66695000    9.03176600   -0.81876000
 C                 -0.70067800    9.94468800   -1.22763100
 H                 -0.80998100   10.44701700   -2.18574100
 C                  0.43086200   13.15091800    0.08091600
 H                 -0.38382700   12.43967700    0.22751500
 H                  0.27248600   13.65691800   -0.87891200
 C                  0.42970600   14.12127700    1.22295700
 C                  0.57458000   13.55846100    2.49933800
 C                  0.51882400   14.39232700    3.63267100
 C                  0.32574600   15.75733200    3.44424900
 H                  0.28846000   16.40229300    4.32005500
 C                  0.19049500   16.33458200    2.17700700
 C                  0.24754500   15.49251000    1.06951700
 H                  0.14301300   15.90657200    0.06936700
 O                  3.21732700   10.03590700    3.92683000
 C                  2.73871000    8.26308100    5.42596400
 C                  3.79142800    8.85968400    4.49348300
 H                  2.47785300    9.01377000    6.18668600
 H                  1.84156600    8.03023900    4.84891600
 C                 -0.25547800    8.05920500    2.60102700
 H                  0.68300100    7.50331800    2.67736300
 H                 -0.22562700    8.82464300    3.38311800
 H                 -1.08450800    7.37990000    2.81304300
 C                  0.68523500   13.78657000    4.99722600
 H                 -0.09939300   13.05131100    5.20343500
 H                  1.63922200   13.25528000    5.05988700
 H                  0.65162500   14.55264700    5.77575700
 C                 -0.00221500   17.82308700    2.02862800
 H                 -0.90648800   18.16365800    2.54339300
 H                  0.83980300   18.37820100    2.45465500
 H                 -0.09048700   18.10647900    0.97700000
 C                 -2.85074200    8.69456300   -1.68912000
 H                 -2.73443800    7.71026000   -2.15575900
 H                 -3.77872900    8.67078800   -1.11031600
 H                 -2.97319900    9.42667900   -2.49120700
 C                  6.36862800    9.98713400    0.75974500
 H                  6.32694800   10.35879800    1.78786500
 H                  5.77147200    9.06926700    0.73428900
 H                  7.40272000    9.72728700    0.52034200
 C                  6.77606900   12.65326800   -3.51534200
 H                  7.83026500   12.85027700   -3.29792300
 H                  6.74497600   11.83948200   -4.24831900
 H                  6.36173700   13.54376200   -3.99477700
 H                  4.68466300    9.14314100    5.05488000
 C                  4.18359200    7.94817700    3.34334600
 H                  5.00593600    8.42681600    2.79558600
 H                  4.55832000    7.00683900    3.75545800
 O                  3.11039400    7.63885400    2.48636300
 H                  2.69372600    8.46907200    2.19192500
 O                  3.15023900    7.05931100    6.03218500
 C                  4.13361400    7.23438800    7.02779000
 H                  3.82131500    7.98269900    7.76969100
 H                  5.10283200    7.53911200    6.61309400
 C                  3.76299500   11.27061800    4.18205600
 O                  3.20501000   12.13873600    3.42770500
 O                  4.62009000   11.43923800    5.02269900
 C                  4.31313678    5.87846027    7.73548454
 C                  4.13416369    5.75136467    9.17931446
 O                  5.46836560    5.81778027    8.58912462
 H                  4.20542982    5.00403004    7.06729242
 H                  3.86523625    6.62552059    9.80079590
 H                  3.88643155    4.77749722    9.64074779
 






