%chk=Scan15.chk
%nprocshared=8
%mem=20GB
#p opt=(modredundant,noeigentest) wb97xd/6-31G* nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 1.77752200   10.58402000   -1.70219600
 N                  2.08723900   12.38237600   -0.79698900
 O                  3.65729500   10.18150200   -1.39667100
 O                  0.66727300    9.95927800   -0.49996100
 O                  1.42147400   11.25445000   -3.26883500
 C                  3.42679400   12.96273800   -1.11217200
 H                  3.52093800   13.00034400   -2.20241400
 H                  3.45184900   13.99481500   -0.74478700
 C                  4.57260000   12.19240800   -0.51596900
 C                  4.68384100   10.82096800   -0.68038000
 C                  5.72712100   10.06011100   -0.16168500
 C                  6.71021300   10.75095800    0.54450300
 H                  7.54151200   10.18673500    0.96037800
 C                  6.65307000   12.13308500    0.74347800
 C                  5.57166100   12.83536800    0.21432800
 H                  5.49548400   13.90855600    0.36824800
 C                  1.93386600   12.22963700    0.68541500
 H                  2.69865500   11.52195500    1.02108000
 H                  2.15189300   13.19600100    1.15507100
 C                  0.57006600   11.74538000    1.09418500
 C                  0.01883200   10.60878300    0.48913600
 C                 -1.23025700   10.12273600    0.91396600
 C                 -1.90045500   10.80210400    1.92775400
 H                 -2.86856500   10.42494000    2.25397100
 C                 -1.37886900   11.95008700    2.53430100
 C                 -0.13916000   12.40773100    2.09789900
 H                  0.29633400   13.29804600    2.54714600
 C                  1.03622100   13.32744800   -1.29360800
 H                  0.07049900   12.90619100   -1.00181200
 H                  1.15107100   14.27282000   -0.74965000
 C                  1.06540600   13.57546800   -2.77660000
 C                  1.21845900   12.51928400   -3.68115500
 C                  1.16667100   12.76070800   -5.06467700
 C                  0.91432300   14.05389200   -5.50624400
 H                  0.84622400   14.23457500   -6.57780400
 C                  0.74989700   15.12786100   -4.62349800
 C                  0.84208300   14.86754200   -3.26073300
 H                  0.72183300   15.68031600   -2.54665200
 O                  1.93342500    8.79486100   -2.46291000
 C                  1.96254000    8.31278000   -3.83316100
 C                  1.04990900    7.67290000   -2.89218900
 H                  2.90065300    7.83485100   -4.09657400
 H                  1.54893600    9.01996700   -4.54591700
 C                 -1.81590700    8.90085000    0.26265300
 H                 -1.11876700    8.05640200    0.30098200
 H                 -2.03491200    9.08571500   -0.79448400
 H                 -2.74611300    8.60375800    0.75592000
 C                  1.35900100   11.61481600   -6.01610000
 H                  0.63170200   10.81841200   -5.82844000
 H                  2.35517700   11.17043600   -5.89758300
 H                  1.25758400   11.94412700   -7.05498400
 C                  0.49817200   16.51834600   -5.15036300
 H                 -0.27233700   16.51236500   -5.92921600
 H                  1.40431500   16.94694000   -5.59701600
 H                  0.17051600   17.19531300   -4.35494300
 C                 -2.14660500   12.66542800    3.61751000
 H                 -1.57327000   13.50519100    4.02257600
 H                 -2.38810400   11.99120200    4.44753200
 H                 -3.09594600   13.06188900    3.23743000
 C                  5.77848800    8.56783500   -0.35731500
 H                  5.85317600    8.29419600   -1.41826700
 H                  4.89360100    8.07230100    0.06201500
 H                  6.65459200    8.14996000    0.14359800
 C                  7.73864700   12.83519400    1.51684000
 H                  8.70069300   12.75792800    0.99754400
 H                  7.86826700   12.38660600    2.50798800
 H                  7.51114100   13.89667800    1.65023700
 H                  1.36197700    6.77446900   -2.38393800
 C                 -0.42409400    7.99975800   -2.97349100
 H                 -0.59634600    9.06895100   -2.85584600
 H                 -0.97984300    7.44628300   -2.21536000
 O                 -0.93873900    7.67213500   -4.26155300
 C                 -0.66637100    6.34330900   -4.72655400
 O                 -1.24217700    6.09767300   -5.78659900
 O                  0.09499700    5.71128500   -3.98918600
 Al                -1.81730100    8.81853800   -5.64616300
 N                 -2.68410500    9.90465700   -7.24013800
 O                 -1.67246100   10.24861800   -4.59312100
 O                 -3.37508200    8.02375800   -5.28606800
 O                 -0.32021900    8.63516300   -6.61266700
 C                 -2.06925100   11.25777600   -7.28268300
 C                 -4.15761200   10.03212600   -7.06204500
 C                 -2.41228300    9.19499600   -8.51907000
 C                 -2.05435000   11.51455400   -4.76418800
 C                 -4.39736500    7.75121900   -6.09401100
 C                 -0.00479700    8.74600100   -7.89759700
 H                 -0.99981800   11.11501700   -7.45593200
 H                 -2.46870200   11.79679200   -8.15309000
 C                 -2.28096300   12.07205000   -6.03438100
 H                 -4.31626000   10.56838300   -6.12096500
 H                 -4.55947800   10.65480200   -7.87337200
 C                 -4.85442500    8.70208700   -7.01872300
 H                 -2.84643000    8.19327000   -8.42265700
 H                 -2.95630600    9.70340000   -9.32791900
 C                 -0.95442500    9.08519700   -8.87649000
 C                 -2.23346600   12.32033200   -3.62037200
 C                 -5.04197200    6.50098200   -6.00425400
 C                  1.33538700    8.52835100   -8.28882000
 C                 -2.63803500   13.41856700   -6.14563500
 C                 -5.92916100    8.40161600   -7.85674700
 C                 -0.55619000    9.25480100  -10.20446000
 C                 -2.56020900   13.66212400   -3.77461900
 C                 -2.05594300   11.70298300   -2.26265900
 C                 -6.11768400    6.24073000   -6.84851300
 C                 -4.53477500    5.49117300   -5.01223200
 C                  1.68785900    8.68835800   -9.62496600
 C                  2.34757500    8.11801000   -7.25509900
 C                 -2.76704300   14.24147300   -5.03085600
 H                 -2.80307300   13.83402800   -7.13876800
 C                 -6.58366900    7.17356200   -7.78386000
 H                 -6.25932600    9.14715600   -8.57867200
 C                  0.76308600    9.06491800  -10.60541600
 H                 -1.30519500    9.53741200  -10.94270800
 H                 -2.66574900   14.27763400   -2.88202300
 H                 -1.07298700   11.23222500   -2.16672500
 H                 -2.79670800   10.91320500   -2.08788100
 H                 -2.16468200   12.44966000   -1.46968000
 H                 -6.60910600    5.27056400   -6.78138300
 H                 -3.45680300    5.34323900   -5.14044500
 H                 -5.04909100    4.53124600   -5.12706100
 H                 -4.68629800    5.83701000   -3.98169600
 H                  2.72428100    8.51604300   -9.91341000
 H                  1.94979200    7.32782400   -6.60907100
 H                  2.61891900    8.95787000   -6.60436600
 H                  3.26535600    7.75400300   -7.72805800
 C                 -3.14044700   15.69732600   -5.15815000
 C                 -7.75931400    6.84989800   -8.67314600
 C                  1.18974700    9.25021200  -12.04079500
 H                 -2.98635600   16.06119100   -6.17928700
 H                 -2.54343700   16.32232800   -4.48443500
 H                 -4.19517300   15.86741800   -4.90578300
 H                 -7.88875800    7.60772900   -9.45291800
 H                 -8.69529500    6.80046400   -8.10221400
 H                 -7.63379300    5.87921100   -9.16712200
 H                  1.62204200    8.33104800  -12.45476900
 H                  1.95197700   10.03334800  -12.13584200
 H                  0.34195800    9.53271000  -12.67351200
 H                  3.86901100    9.25230500   -1.60201300
 
 B 75 41 S 6 -0.094
 B 72 73 F
 






