%chk=HBonding.chk
%nprocshared=12
%mem=22GB
#p opt=(noeigentest) iop(1/8=10) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 2.40834300   11.50912300    1.66904700
 N                  1.57118800   12.33299600    0.01712800
 O                  4.08340000   11.39256800    1.09331000
 O                  2.15135500    9.59075400    0.56160800
 O                  2.40791300   13.03046400    2.61205400
 C                  2.61787300   13.25862500   -0.53814400
 H                  2.85889700   13.97905600    0.24534000
 H                  2.17237900   13.81213700   -1.37110200
 C                  3.86613200   12.54702800   -0.99304700
 C                  4.53670000   11.66504200   -0.12993600
 C                  5.72437600   11.04431800   -0.56360300
 C                  6.20504500   11.31931500   -1.83682900
 H                  7.12214700   10.83380400   -2.16264400
 C                  5.54886700   12.18781900   -2.71378800
 C                  4.37573400   12.78540900   -2.26994600
 H                  3.83458600   13.45970100   -2.92870800
 C                  1.13513500   11.42856100   -1.09438200
 H                  2.03816000   11.04998800   -1.57293000
 H                  0.59643600   12.03633100   -1.82718700
 C                  0.29294000   10.26153400   -0.66622200
 C                  0.86990100    9.28761200    0.13272600
 C                  0.19903800    8.13596600    0.52842500
 C                 -1.10595800    7.98224100    0.06540600
 H                 -1.65522800    7.09147700    0.35747500
 C                 -1.73363100    8.93634800   -0.73684700
 C                 -1.01771300   10.07730200   -1.09182700
 H                 -1.47983000   10.83604400   -1.71613000
 C                  0.38124800   13.12010600    0.46535800
 H                 -0.33296000   12.39585500    0.86680100
 H                 -0.07220600   13.57097900   -0.42299200
 C                  0.64838000   14.20918600    1.48018900
 C                  1.60420000   14.08584400    2.50250700
 C                  1.75240900   15.13788400    3.43211400
 C                  0.94019900   16.25862800    3.33092600
 H                  1.06493300   17.05773400    4.05803900
 C                 -0.02105100   16.39617900    2.32596300
 C                 -0.13795600   15.36238500    1.40727900
 H                 -0.86708600   15.44285000    0.60462300
 O                  4.66119400   11.54576100    5.03963900
 C                  3.36021700   11.54068400    5.63108100
 C                  4.01958900   10.29797200    5.24425400
 H                  3.32739600   11.81950000    6.68105900
 H                  2.57859900   11.95297300    4.99946700
 C                  0.84511400    7.12705700    1.43960900
 H                  1.80630300    6.77333600    1.05171400
 H                  1.01383800    7.54218000    2.43773900
 H                  0.20022900    6.25581000    1.55677400
 C                  2.78388500   15.01638400    4.51876200
 H                  2.47748400   14.28566000    5.27454900
 H                  3.73934300   14.67124000    4.11792400
 H                  2.93433200   15.97514600    5.02048700
 C                 -0.90101700   17.61815000    2.25639000
 H                 -1.66228000   17.60328300    3.04415000
 H                 -0.32250700   18.53747600    2.38387800
 H                 -1.42099100   17.67768900    1.29710500
 C                 -3.14750400    8.72307200   -1.20927000
 H                 -3.20359100    7.88563900   -1.91151100
 H                 -3.81180100    8.49199200   -0.37183100
 H                 -3.53404100    9.61085600   -1.71414600
 C                  6.42995100   10.09513900    0.36280100
 H                  6.67499200   10.57889700    1.31284700
 H                  5.79689500    9.23456500    0.60314500
 H                  7.35404600    9.72421200   -0.08625300
 C                  6.10772300   12.46048000   -4.08658600
 H                  7.06147700   12.99511900   -4.02773400
 H                  6.29217900   11.53045700   -4.63306400
 H                  5.42234000   13.06927800   -4.68076000
 H                  4.47414900    9.67808800    6.01750900
 C                  3.62194400    9.51769800    4.01894000
 H                  4.49665400    9.33022400    3.39162300
 H                  3.18970700    8.56463100    4.32711800
 O                  2.69088400   10.21172400    3.19816900
 H                  2.63682200    8.81395400    0.86394500
 C                  1.29479300   10.11116100    3.39197400
 O                  0.82028900    9.39914200    4.23054900
 O                  0.78584700   10.87574200    2.52155500
 H                  1.36369300    7.96304900    5.30732800
 O                  1.92859200    7.30440800    5.72972300
 C                  1.14573600    6.52210600    6.60041100
 C                  0.29929600    5.49827200    5.88130900
 H                  0.45723000    7.13446000    7.20239200
 H                  1.83961200    6.03603300    7.29031800
 O                 -0.46711300    5.98298100    4.77771100
 C                  0.59357300    5.07126300    4.51796200
 H                 -0.24171300    4.82042900    6.53974800
 H                  0.28089700    4.08633900    4.18306400
 H                  1.44411400    5.50707700    4.00348400
 






