%chk=Scan-Carb4-2Coord.chk
%nprocshared=12
%mem=22GB
#p opt=(noeigentest,modredundant) iop(1/8=1) wb97xd/6-31G* nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 2.32494900   11.04066200    1.67864600
 N                  1.69734600   12.12162100    0.03424700
 O                  4.04427100   11.26952400    1.35074800
 O                  1.50250000    9.54590000    1.19903100
 O                  1.46240600   12.09589100    2.84950000
 C                  2.71709200   13.15844200   -0.30770600
 H                  2.80053600   13.82135200    0.56008100
 H                  2.33600600   13.75832800   -1.14419200
 C                  4.06203200   12.57914200   -0.65013000
 C                  4.65846700   11.66214300    0.22628800
 C                  5.93151500   11.13815900   -0.06689000
 C                  6.57188100   11.54764800   -1.23255400
 H                  7.55504200   11.13679000   -1.45810600
 C                  5.99295100   12.45665000   -2.12647900
 C                  4.73045600   12.95585900   -1.81682400
 H                  4.24843100   13.65893500   -2.49386500
 C                  1.53878700   11.18697300   -1.12020400
 H                  2.51590900   10.72310900   -1.29067700
 H                  1.29454100   11.77571400   -2.01386900
 C                  0.49849800   10.12743300   -0.89144200
 C                  0.55465400    9.34465300    0.27053600
 C                 -0.39831000    8.32868600    0.47378500
 C                 -1.37862300    8.12563600   -0.49409400
 H                 -2.11620400    7.34073900   -0.33209500
 C                 -1.45666100    8.89925800   -1.65751000
 C                 -0.50727000    9.90262000   -1.83257600
 H                 -0.54266300   10.52878900   -2.72240800
 C                  0.39022400   12.78267700    0.31992900
 H                 -0.32889300   11.98826900    0.54340800
 H                  0.04806200   13.28892900   -0.59172900
 C                  0.45018900   13.75593100    1.46480100
 C                  0.97302500   13.34816600    2.69661100
 C                  1.01754900   14.23723400    3.78170800
 C                  0.50645800   15.52095700    3.60604900
 H                  0.53721100   16.21293500    4.44618600
 C                 -0.03049000   15.95391600    2.38927200
 C                 -0.03795800   15.05561400    1.32473300
 H                 -0.43776300   15.36475500    0.36094100
 O                  2.90492000   10.15124500    3.37900100
 C                  3.62010000    8.88142300    3.33948000
 C                  2.32934500    9.03350500    4.13183000
 H                  3.59317600    8.40055100    2.36517100
 H                  4.60471200    8.95698300    3.79646000
 C                 -0.34463600    7.50414500    1.73046900
 H                  0.63317800    7.02366200    1.85178900
 H                 -0.50694700    8.12739800    2.61814300
 H                 -1.11149500    6.72364000    1.72047700
 C                  1.60564700   13.78984700    5.09163900
 H                  0.94524100   13.08013800    5.60329100
 H                  2.56895800   13.28848900    4.94345800
 H                  1.76026900   14.64116300    5.76126800
 C                 -0.56195600   17.35725900    2.23775700
 H                 -1.29930300   17.59077400    3.01432900
 H                  0.24097100   18.09988600    2.32128600
 H                 -1.04368300   17.49640800    1.26474300
 C                 -2.53288000    8.64411700   -2.68321800
 H                 -2.38166000    7.68396200   -3.19205300
 H                 -3.52608800    8.60884500   -2.22099200
 H                 -2.54500000    9.42616600   -3.44896800
 C                  6.55284500   10.14996300    0.88191900
 H                  6.68750800   10.58629300    1.87861900
 H                  5.91467600    9.26767400    1.00977500
 H                  7.53003000    9.81709900    0.51828700
 C                  6.71947200   12.87016500   -3.38235000
 H                  7.64026700   13.41959900   -3.15115900
 H                  7.00733100   11.99921100   -3.98319900
 H                  6.09493300   13.51609600   -4.00802100
 H                  1.55895000    8.43227700    3.66417400
 C                  2.61744100    8.81420100    5.60465900
 H                  2.72614200    7.74508300    5.78980100
 H                  3.53544000    9.33275100    5.89604500
 O                  1.56139900    9.29271800    6.46297600
 C                  0.84002700   10.24267300    5.87238200
 O                  1.07191900   10.16227000    4.55214000
 O                  0.08585300   10.98027100    6.44429800
 H                  1.30245200   11.00132900    4.04084200
 
 B 74 41 F
 B 76 39 S 5 -0.09
 






