%chk=Scan-H.chk
%nprocshared=8
%mem=20GB
#p opt=(modredundant,noeigentest) wb97xd/6-31G* nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 1.94633300   10.75302300    1.73438800
 N                  1.69303300   11.87173700    0.08406600
 O                  3.52313400    9.90788300    0.57337600
 O                  1.19481900    9.20641000    1.26446700
 O                  0.56958800   11.44598600    2.69201400
 C                  2.91999300   12.65549800   -0.22788000
 H                  3.09113900   13.31285600    0.62850500
 H                  2.69559800   13.29415500   -1.08924500
 C                  4.19944100   11.90175200   -0.52672300
 C                  4.48387600   10.60074800   -0.13708800
 C                  5.69644200    9.97486600   -0.43670400
 C                  6.65091500   10.70925500   -1.12561700
 H                  7.60196000   10.23966300   -1.36023200
 C                  6.42344600   12.03155900   -1.51463400
 C                  5.19464800   12.60298900   -1.21468100
 H                  4.99182300   13.62473600   -1.52289000
 C                  1.30621000   10.98381400   -1.05838700
 H                  2.18936700   10.41704200   -1.35300800
 H                  1.03511700   11.62248400   -1.90497000
 C                  0.16288100   10.04396600   -0.74159900
 C                  0.18514000    9.19471600    0.38132500
 C                 -0.87420100    8.29059600    0.58490400
 C                 -1.91952300    8.25184900   -0.32856600
 H                 -2.73072700    7.54715100   -0.16114300
 C                 -1.96679200    9.09024400   -1.44475400
 C                 -0.91746600    9.98261400   -1.62441600
 H                 -0.92680500   10.65255400   -2.48048900
 C                  0.57614800   12.84864600    0.30629000
 H                 -0.34824500   12.27036700    0.24600200
 H                  0.58016700   13.56382800   -0.52195300
 C                  0.61072600   13.55884700    1.62947400
 C                  0.50533100   12.77609400    2.79073500
 C                  0.31110000   13.40703600    4.03237700
 C                  0.31499600   14.79774200    4.08016700
 H                  0.17923200   15.28320700    5.04400900
 C                  0.48614400   15.59277300    2.94346200
 C                  0.61681100   14.94849600    1.71683800
 H                  0.70775900   15.53336600    0.80479400
 O                  3.32927400   11.33799900    2.61231500
 C                  3.55206300   12.03599200    3.78704700
 C                  4.88715300   11.58945000    4.35278100
 H                  3.60503300   13.12176300    3.61371200
 H                  2.77651700   11.86086800    4.54264200
 C                 -0.84552600    7.39185700    1.78865200
 H                 -0.00529400    6.69155100    1.74413900
 H                 -0.72130500    7.97100900    2.70800000
 H                 -1.76849400    6.81257800    1.86415500
 C                  0.07585700   12.57512700    5.26107000
 H                 -0.88957900   12.06132200    5.20401500
 H                  0.83379100   11.79562900    5.37262600
 H                  0.07673000   13.19391300    6.16141700
 C                  0.53021300   17.09561100    3.05239300
 H                 -0.23809400   17.46890100    3.73542100
 H                  1.49757600   17.43812200    3.43611700
 H                  0.37640500   17.56856600    2.07927000
 C                 -3.13273400    9.03863800   -2.39831200
 H                 -3.37860000    8.00726300   -2.66728600
 H                 -4.03025300    9.47983100   -1.95181100
 H                 -2.91720800    9.58568800   -3.31922600
 C                  5.93332400    8.55157000   -0.01889100
 H                  5.75528000    8.41766200    1.05115900
 H                  5.27244900    7.86252000   -0.55851600
 H                  6.96074100    8.25606000   -0.23614900
 C                  7.48469300   12.79960600   -2.25729200
 H                  8.42475800   12.81219900   -1.69789700
 H                  7.69159400   12.34168900   -3.22931800
 H                  7.17914600   13.83357400   -2.42990300
 H                  5.12759600   12.10991400    5.27918000
 C                  6.02277200   11.64394400    3.32462400
 H                  5.77222000   12.25046200    2.45561500
 H                  6.97054500   11.96690600    3.75650600
 O                  6.15822800   10.28267400    2.89820100
 C                  5.41040600    9.49007400    3.66902200
 O                  4.80729200   10.17856700    4.64133900
 O                  5.32776100    8.30368100    3.53123800
 H                  3.95083686    9.30782217    1.18867858
 
 B 39 76 S 6 -0.260
 






