%chk=Guess-CHO.chk
%nprocshared=16
%mem=60GB
#p opt=(ts,calcfc,noeigentest) iop(1/8=10) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 1.88573200   12.44574700    2.05833100
 N                  0.79213300   13.71295400    0.73882400
 O                  3.35228300   12.68063200    1.06209200
 O                  0.82273700   11.02858500    1.60631200
 O                  1.48082700   13.51958000    3.42290500
 C                  1.67780500   14.81191600    0.26278600
 H                  2.05157200   15.33237200    1.14898200
 H                  1.07295300   15.52751300   -0.30760100
 C                  2.82654100   14.33024000   -0.57279600
 C                  3.61458200   13.27531400   -0.09742200
 C                  4.70808300   12.83060400   -0.86641100
 C                  4.97752700   13.45598200   -2.07805500
 H                  5.82222900   13.10607100   -2.66757100
 C                  4.19886700   14.50836600   -2.56889300
 C                  3.11985500   14.92555700   -1.79812300
 H                  2.48462200   15.73332200   -2.15281100
 C                  0.32070200   12.92314300   -0.43106600
 H                  1.19744900   12.45443100   -0.88451600
 H                 -0.10958200   13.60626800   -1.17327000
 C                 -0.68566900   11.88245700   -0.04157500
 C                 -0.38352500   10.99299200    0.99457800
 C                 -1.35573800   10.07105900    1.41745500
 C                 -2.57983800   10.03628200    0.75714300
 H                 -3.32658600    9.32060600    1.09264400
 C                 -2.88805900   10.89206400   -0.30025400
 C                 -1.92556100   11.82273400   -0.67367900
 H                 -2.14100600   12.53144600   -1.46875400
 C                 -0.37825500   14.31150100    1.43942600
 H                 -0.99657800   13.48613800    1.80165600
 H                 -0.97641700   14.87513400    0.71304300
 C                  0.00530600   15.19613200    2.59045500
 C                  0.91530000   14.71722900    3.54008500
 C                  1.24583500   15.52003000    4.64920600
 C                  0.65700000   16.77236300    4.77261100
 H                  0.91741800   17.38748100    5.63123700
 C                 -0.24804600   17.27067000    3.83018100
 C                 -0.55646100   16.46339300    2.74108100
 H                 -1.25300400   16.82086500    1.98661400
 C                 -1.07818600    9.15295500    2.57208000
 H                 -2.00950200    8.79499800    3.01616700
 H                 -0.51062400    8.27315600    2.25278800
 H                 -0.49276500    9.65808600    3.34212000
 C                  2.22829200   14.99767800    5.65866100
 H                  3.18925500   14.76851700    5.18800700
 H                  2.39735400   15.72639900    6.45491500
 H                  1.87318400   14.06617400    6.10995600
 C                 -0.85217600   18.64228900    3.99325900
 H                 -1.37174000   18.73911900    4.95175200
 H                 -0.08374900   19.42170600    3.96365700
 H                 -1.57262200   18.85433200    3.19961000
 C                 -4.22585800   10.81566600   -0.98924700
 H                 -4.37188500    9.84026000   -1.46397200
 H                 -5.04625300   10.95645500   -0.27878000
 H                 -4.31620100   11.58089100   -1.76352200
 C                  5.54298900   11.68921500   -0.35928200
 H                  6.35337700   11.45783400   -1.05439100
 H                  5.97928700   11.92039900    0.61705900
 H                  4.93742500   10.78742600   -0.22336100
 C                  4.52554600   15.15834100   -3.88918800
 H                  4.59221900   14.41752500   -4.69191700
 H                  3.76275900   15.88856900   -4.16948100
 H                  5.48749100   15.67995600   -3.84957400
 O                  1.65915100   10.39966800    4.82019200
 H                  1.72882800    8.30134300    3.43230900
 C                  2.69202700   10.62905900    4.19067800
 O                  3.76316100    9.90835300    4.59937800
 O                  2.92669200   11.35140400    3.18867100
 C                  3.38688200    9.10487500    5.71598500
 C                  1.90434900    8.68611000    5.60497300
 H                  3.43313500    9.72278900    6.61820500
 O                  1.25062800    8.14909800    4.37456000
 C                  1.69537900    7.19478400    5.41143100
 H                  1.20768600    9.09675800    6.31509300
 H                  0.80892600    6.74980700    5.85061600
 O                  2.06653100    8.69382300    2.12697000
 H                  2.99941700    8.88764600    1.98391900
 H                  1.58142400    9.53630200    1.91548300
 C                  4.37592500    7.95762100    5.80811100
 C                  2.77321600    6.22930900    5.01914200
 C                  4.11258900    6.90792500    4.73643900
 H                  5.38354600    8.37135800    5.73182200
 H                  4.28406100    7.50287300    6.79984100
 H                  4.11879200    7.37628100    3.74688900
 H                  4.90489900    6.15743000    4.72759100
 H                  2.88554700    5.55120600    5.87176200
 H                  2.43244300    5.61830300    4.17737000
 

 
 
