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

Dimer

0 1
 Al                 2.51156600   11.02423700   -1.57746300
 N                  1.64327800   12.06886300   -0.05245600
 O                  4.05746700   11.94681600   -1.55979700
 O                  0.81011700    9.87249700   -1.49077500
 O                  1.63435900   11.78999300   -2.94621900
 C                  2.57796900   13.14038700    0.43484600
 H                  2.59636600   13.90349300   -0.34561700
 H                  2.14207200   13.58748500    1.33389500
 C                  3.97817000   12.66804600    0.69054400
 C                  4.67925500   12.11329800   -0.38735100
 C                  6.01781900   11.72160700   -0.21916900
 C                  6.61259700   11.90460800    1.02449300
 H                  7.64832300   11.59884500    1.15547700
 C                  5.92763000   12.45110600    2.11448700
 C                  4.60057800   12.82427600    1.92670800
 H                  4.03769000   13.25219200    2.75239800
 C                  1.32010500   11.18467800    1.09982100
 H                  2.26404600   10.76380600    1.45339900
 H                  0.91962900   11.81218000    1.90321300
 C                  0.34211400   10.05536800    0.85585100
 C                  0.12269500    9.42580800   -0.36090000
 C                 -0.76509900    8.36151700   -0.51578100
 C                 -1.44660900    7.92035500    0.61075100
 H                 -2.14586600    7.09549800    0.51054900
 C                 -1.25321300    8.51023800    1.86121900
 C                 -0.36462500    9.57350600    1.95991600
 H                 -0.21302500   10.05318700    2.92219000
 C                  0.39979600   12.74789700   -0.54031000
 H                 -0.34642100   11.97789200   -0.74195700
 H                  0.01007100   13.36148500    0.27823500
 C                  0.60900400   13.59911700   -1.76729300
 C                  1.19469200   13.05671600   -2.92036200
 C                  1.31961600   13.84667800   -4.07664300
 C                  0.85834000   15.15680300   -4.04843200
 H                  0.95856600   15.76313600   -4.94567400
 C                  0.28163100   15.72239100   -2.90795900
 C                  0.17183300   14.92444800   -1.77573400
 H                 -0.26937700   15.33532400   -0.87127700
 O                  3.26697900    9.53070700   -2.71021200
 C                  3.79276600    9.22083100   -3.99847100
 C                  2.72399200    8.47831500   -4.78614500
 H                  4.68163500    8.60254500   -3.87572300
 H                  4.06165500   10.16504200   -4.47532000
 C                 -0.96718000    7.73861200   -1.86875900
 H                 -0.02336100    7.36875700   -2.27951200
 H                 -1.37799300    8.45861800   -2.58585400
 H                 -1.66572500    6.90357900   -1.80581600
 C                  1.94631300   13.25165500   -5.30565100
 H                  1.35065100   12.42086900   -5.69540300
 H                  2.93968000   12.84978000   -5.08610900
 H                  2.04165500   13.99957100   -6.09570100
 C                 -0.20138200   17.14985400   -2.91788200
 H                 -0.99479400   17.29515100   -3.65797700
 H                  0.60765800   17.84191600   -3.17126300
 H                 -0.59750000   17.43970400   -1.94196600
 C                 -1.97912400    7.99096400    3.07296200
 H                 -1.51158400    7.07022900    3.43654400
 H                 -3.02183100    7.75947400    2.84127900
 H                 -1.96112300    8.71864200    3.88685700
 C                  6.74676200   11.08314000   -1.36732900
 H                  6.67504100   11.69087800   -2.27342900
 H                  6.31454100   10.10582400   -1.60871300
 H                  7.80247000   10.93386600   -1.13018800
 C                  6.61565500   12.63373200    3.44344200
 H                  7.38014200   13.41625500    3.39348200
 H                  7.11513600   11.71443600    3.76358900
 H                  5.90223900   12.91680400    4.22102100
 H                  2.44827600    7.55684100   -4.27613900
 C                  1.51171700    9.33268500   -5.15513100
 H                  1.39823400   10.21909100   -4.53062400
 H                  0.58850900    8.75235600   -5.17886300
 O                  1.82145700    9.75862600   -6.49232300
 C                  2.78230700    8.98002400   -7.00183300
 O                  3.26864300    8.14067300   -6.06912200
 O                  3.15886800    9.01651200   -8.13134700
 H                  0.20773400   10.10266300   -2.21121900
 C                  3.69229600    8.84261800   -1.53209700
 O                  4.35325100    7.84749200   -1.59087300
 O                  3.21607900    9.52947400   -0.57333200

B 41 78 S 5 -0.34



