%chk=Scan-CC.chk
%nprocshared=12
%mem=20GB
#p opt=(modredundant,noeigentest) wb97xd/6-31G* nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 1.24016800    9.19749300    1.32084600
 N                  2.51778700   10.35860000    0.10181600
 O                  2.58544100    8.83934500    2.46236200
 O                  0.80407600    8.12495300   -0.01668600
 O                  0.19747600   10.57631400    1.71125300
 C                  3.66508400   10.88090100    0.89951100
 H                  3.24690400   11.48237000    1.71077400
 H                  4.26220100   11.54573500    0.26436000
 C                  4.52276700    9.78307100    1.45727900
 C                  3.91124300    8.78202000    2.21395000
 C                  4.67127300    7.71620200    2.72044100
 C                  6.04046500    7.70765700    2.47627600
 H                  6.62908400    6.88284900    2.86950200
 C                  6.67916000    8.70973400    1.74213600
 C                  5.89605100    9.73723000    1.22683200
 H                  6.35568000   10.52075500    0.63024000
 C                  3.04275800    9.52802900   -1.02032800
 H                  3.60346500    8.70224400   -0.57482700
 H                  3.74908500   10.13132900   -1.60292400
 C                  1.96443100    8.98629700   -1.91304400
 C                  0.89503700    8.29026500   -1.33901000
 C                 -0.10579700    7.74909000   -2.16677700
 C                 -0.00249200    7.91878300   -3.54224100
 H                 -0.78009400    7.50047700   -4.17738800
 C                  1.05626000    8.61320200   -4.13502400
 C                  2.02878900    9.14558700   -3.29645800
 H                  2.86296300    9.69777700   -3.72167300
 C                  1.75387800   11.50649100   -0.46145100
 H                  0.93715600   11.08721100   -1.05550100
 H                  2.40731300   12.06176800   -1.14474000
 C                  1.20013500   12.42650100    0.58744600
 C                  0.41903300   11.89116200    1.61972600
 C                 -0.15023400   12.75289200    2.57422700
 C                  0.08901300   14.11929500    2.47315700
 H                 -0.34830600   14.77966400    3.21848600
 C                  0.87609800   14.67051500    1.45937400
 C                  1.42650500   13.79969900    0.52488400
 H                  2.04813000   14.19116100   -0.27644100
 O                  0.27050800    8.94447900    4.51557000
 C                  1.03368100    7.08564900    5.69484200
 C                  0.73019000    8.57871700    5.84897200
 C                 -1.25579100    7.01352600   -1.53971800
 H                 -0.90769200    6.14264400   -0.97620600
 H                 -1.79077900    7.65168100   -0.82993800
 H                 -1.96301300    6.67234000   -2.29902400
 C                 -1.00518900   12.17797200    3.66718700
 H                 -1.92358300   11.74285300    3.25913900
 H                 -0.48609600   11.36973200    4.18727800
 H                 -1.28468100   12.94683500    4.39104300
 C                  1.09412100   16.15910700    1.37007600
 H                  0.24552300   16.65555500    0.88657000
 H                  1.20894900   16.60565400    2.36162500
 H                  1.98825000   16.39538300    0.78781100
 C                  1.13036500    8.77305700   -5.63203500
 H                  1.24405400    7.80462600   -6.12998800
 H                  0.22186200    9.23616600   -6.02943800
 H                  1.97901100    9.39770000   -5.92095600
 C                  4.00723000    6.62955700    3.51449600
 H                  3.71107300    7.01245800    4.49389000
 H                  3.10219900    6.27364200    3.01585000
 H                  4.68544800    5.78750800    3.66754200
 C                  8.16930200    8.66408100    1.52279000
 H                  8.70987400    8.80931400    2.46387200
 H                  8.48229900    7.69780300    1.11601600
 H                  8.49236700    9.44294000    0.82823000
 H                 -0.09058600    8.77078300    6.53870200
 C                  1.92206700    9.45455500    6.17091700
 H                  1.58435200   10.49649700    6.24288000
 H                  2.30572600    9.13179000    7.14109400
 O                  2.95853500    9.30945400    5.23343000
 H                  2.62308300    9.38307000    4.32738100
 O                  1.83070200    7.17953200    8.46928100
 C                  0.88538700    7.67149500    9.35097400
 H                  1.34343000    7.98597100   10.30489900
 H                  0.40837400    8.56930500    8.92813400
 Al                 2.70998700    5.63228200    8.36611800
 O                  2.75005600    5.55560000   10.36522500
 O                  1.35619300    4.64125100    7.75305800
 O                  3.99977400    6.32983500    7.35515700
 C                  3.61734900    5.05301700   11.32837300
 C                  1.10038000    3.34205000    7.59583600
 C                  5.11315000    5.87892600    6.77406700
 C                  4.70557000    4.29945000   10.91266300
 C                  3.37079100    5.33064200   12.67419300
 C                  1.91183900    2.35430000    8.16766500
 C                 -0.01765000    2.95539700    6.83073800
 C                  5.36737000    4.50984000    6.64948300
 C                  6.05875200    6.80487200    6.29358900
 C                  5.04010700    4.06475000    9.46252100
 C                  5.56736300    3.80014300   11.88911900
 C                  4.25963200    4.81431200   13.61019500
 C                  2.19133900    6.16375200   13.09575400
 C                  3.05453000    2.73741200    9.06594000
 C                  1.62702700    1.00648700    7.95166200
 C                 -0.27952100    1.60244300    6.65307600
 C                 -0.89810200    4.00677600    6.21715900
 C                  4.37591600    3.52427100    7.19670300
 C                  6.52543000    4.06841600    6.00980000
 C                  7.19709500    6.32861000    5.65635600
 C                  5.80913000    8.27360200    6.46604200
 N                  3.87639600    3.87208900    8.56226000
 H                  5.61031400    4.91962000    9.09184000
 H                  5.69350300    3.18783400    9.38881400
 C                  5.36428700    4.04665400   13.24109700
 H                  6.41768400    3.20272700   11.57445500
 H                  4.08262700    5.02265300   14.66136900
 H                  2.13100500    7.09382700   12.52226600
 H                  1.24885600    5.62522700   12.95858300
 H                  2.27202600    6.42309200   14.15192500
 H                  2.66363900    3.02024600   10.04593000
 H                  3.71210500    1.87351100    9.21717200
 C                  0.53151700    0.60404600    7.19798000
 H                  2.28191100    0.25791000    8.39047500
 H                 -1.14588700    1.31460600    6.06183700
 H                 -1.16479700    4.77343000    6.95002800
 H                 -0.39314000    4.51291400    5.38831900
 H                 -1.81680400    3.56445300    5.82553900
 H                  3.50293500    3.46430800    6.54140100
 H                  4.82544300    2.52562600    7.23567300
 C                  7.45034500    4.96427100    5.48747100
 H                  6.70240500    2.99928800    5.92350700
 H                  7.91757100    7.04938400    5.27653300
 H                  4.88168300    8.57876200    5.97363400
 H                  5.70068000    8.52837100    7.52574500
 H                  6.63565600    8.85801300    6.05401000
 C                  6.31142400    3.51798200   14.28487100
 C                  0.21137800   -0.85259300    6.98098300
 C                  8.68102300    4.49488100    4.75503500
 H                  6.84516300    4.33802800   14.77521200
 H                  5.77382900    2.96864900   15.06285000
 H                  7.05318400    2.84823200   13.84526600
 H                 -0.70146700   -1.14233200    7.51220300
 H                  0.05059700   -1.07027100    5.92089200
 H                  1.02047500   -1.49435300    7.33773400
 H                  8.59728000    4.68347900    3.67925200
 H                  9.57745700    5.01470600    5.10558200
 H                  8.83843300    3.42219700    4.89133700
 C                 -0.21389600    6.68965400    9.66954900
 C                 -0.76426700    6.60460700   11.01892200
 O                  0.17866500    5.61873300   10.56485900
 H                 -0.80729500    6.33227400    8.83316800
 H                 -0.39044300    7.27587600   11.78722000
 H                 -1.76459400    6.21316700   11.17095600
 H                  1.80769700    5.62822300   10.68472000
 C                  0.36110100    7.91456900    3.70834700
 O                  0.14755300    7.98548300    2.50672500
 O                  0.68445600    6.80380300    4.31234300
 H                  2.09119100    6.86453800    5.81651200
 H                  0.43913400    6.44646300    6.33677100
 
 B 147 40 S 6 0.09
 






