%chk=Scan-2D.chk
%nprocshared=24
%mem=40GB
#p opt=(modredundant,noeigentest) iop(1/8=10) wb97xd/6-31G* nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 1.93946200   10.62327400    1.95329600
 N                  1.27956400   11.80493000    0.34011600
 O                  3.68341000   10.87813800    1.54452800
 O                  1.22073400    9.16458000    1.23644100
 O                  1.46869200   11.88459500    3.11721300
 C                  2.32361600   12.81493100    0.01062900
 H                  2.50534500   13.40571400    0.91134700
 H                  1.93435700   13.49324100   -0.75724700
 C                  3.60508900   12.18268800   -0.45394500
 C                  4.22388000   11.22507600    0.35200800
 C                  5.42361800   10.62479800   -0.05379600
 C                  5.97702500   11.00596500   -1.27146900
 H                  6.90533200   10.53834000   -1.59015800
 C                  5.37683900   11.95758100   -2.09917900
 C                  4.18397500   12.53128900   -1.67233600
 H                  3.68433600   13.26552400   -2.29848100
 C                  1.01094600   10.98173900   -0.87250500
 H                  1.95697400   10.51816900   -1.16205200
 H                  0.70351900   11.64928100   -1.68635000
 C                 -0.01569100    9.91334000   -0.64846400
 C                  0.17899600    9.02308900    0.41239900
 C                 -0.72021400    7.95777400    0.59972400
 C                 -1.79800300    7.83489100   -0.27040700
 H                 -2.49655800    7.01457400   -0.12056200
 C                 -2.02200700    8.72862100   -1.32228000
 C                 -1.11264700    9.76616500   -1.49442000
 H                 -1.25122200   10.47845500   -2.30380900
 C                  0.01614900   12.48804500    0.74003800
 H                 -0.69323100   11.70461700    1.02496100
 H                 -0.39856700   12.99883800   -0.13691700
 C                  0.18763000   13.46410900    1.86725100
 C                  0.90159100   13.08439700    3.01051300
 C                  1.04044200   14.00060200    4.07137700
 C                  0.45466900   15.25554500    3.96070600
 H                  0.56731400   15.95637000    4.78479100
 C                 -0.26416400   15.65017700    2.82880100
 C                 -0.37929100   14.73541700    1.78926200
 H                 -0.92071700   15.01101500    0.88783000
 O                  5.18176200   10.46796700    5.51520800
 C                  3.79794300   10.38954600    5.94744100
 C                  4.04289300    9.14360600    5.25465700
 H                  3.71120600   10.37017100    7.02714400
 H                  3.15303400   11.11327300    5.45542300
 C                 -0.48988800    6.99181400    1.72691200
 H                  0.46455300    6.46880800    1.60576100
 H                 -0.43663900    7.52108800    2.68179700
 H                 -1.28585700    6.24486700    1.77197900
 C                  1.82260200   13.59858200    5.28852600
 H                  1.40254700   12.69961500    5.74950600
 H                  2.86007400   13.36479200    5.02856600
 H                  1.82946800   14.39708800    6.03352600
 C                 -0.88003000   17.02336200    2.74486100
 H                 -1.62617100   17.17492700    3.53152200
 H                 -0.12470200   17.80733900    2.85981700
 H                 -1.37519500   17.17478700    1.78276500
 C                 -3.20928200    8.56025600   -2.23579300
 H                 -3.18529800    7.59126700   -2.74442700
 H                 -4.15135700    8.61089500   -1.68057500
 H                 -3.23063500    9.33889800   -3.00184000
 C                  6.07303100    9.59689000    0.82878500
 H                  6.37519000   10.03398800    1.78609700
 H                  5.38253500    8.77776300    1.05127100
 H                  6.96253900    9.17876300    0.35382100
 C                  6.01267500   12.34433100   -3.40913200
 H                  6.95263000   12.88230200   -3.24843900
 H                  6.24466400   11.46148300   -4.01217800
 H                  5.35459400   12.98977000   -3.99527600
 H                  4.51640600    8.34422600    5.80772400
 C                  3.74435500    8.94227900    3.80137500
 H                  4.48336400    9.41510200    3.15792500
 H                  3.74761400    7.87248500    3.58843400
 O                  2.47999300    9.50277700    3.51274900
 C                  1.41795000    8.99659100    4.46263000
 O                  1.93069800    8.36328900    5.38867700
 O                  0.30220600    9.31976800    4.13802700
 H                  5.20723500   11.07314300    4.70012600
 O                  5.11897700   12.00328200    3.48512800
 H                  4.55667200   11.64844000    2.75662400
 H                  4.84068500   12.91180700    3.63280800 
 
 B 72 73 S 5 0.118
 B 74 41 S 5 0.071





