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

Dimer

0 1
 Al                 2.47679500   10.91769500    1.83360900
 N                  1.73862600   12.01956700    0.25191300
 O                  4.11230600   10.90115200    1.14605700
 O                  1.33681000    9.55509600    1.54133400
 O                  1.98947600   12.16330800    3.00426500
 C                  2.73789000   13.05224500   -0.14124000
 H                  2.93053100   13.66870900    0.74081400
 H                  2.28958100   13.70180100   -0.90191900
 C                  4.02747600   12.47438800   -0.65202300
 C                  4.65003800   11.43181600    0.04551800
 C                  5.87279400   10.91699900   -0.42575500
 C                  6.43910400   11.46730400   -1.56931300
 H                  7.38391000   11.06472000   -1.92751400
 C                  5.83377000   12.50920200   -2.27764700
 C                  4.62054400   12.99213700   -1.80261400
 H                  4.11555400   13.79388300   -2.33537800
 C                  1.48629700   11.11705300   -0.89790400
 H                  2.43554600   10.63642800   -1.14972000
 H                  1.19113900   11.72229300   -1.76298000
 C                  0.44863900   10.06288900   -0.63568500
 C                  0.46866900    9.29792500    0.53907600
 C                 -0.44155300    8.23088900    0.67246000
 C                 -1.37029500    8.00333500   -0.33750600
 H                 -2.07238200    7.18200100   -0.21669900
 C                 -1.43395900    8.78378900   -1.49169800
 C                 -0.50541600    9.80714300   -1.62002800
 H                 -0.51048200   10.42824600   -2.51178600
 C                  0.46690800   12.68154000    0.65443300
 H                 -0.21838400   11.89317800    0.97860700
 H                  0.02426400   13.15826600   -0.22778400
 C                  0.64755300   13.69115800    1.75183700
 C                  1.39941500   13.35531500    2.88417000
 C                  1.55261200   14.29859200    3.91744800
 C                  0.94514600   15.54197400    3.78849500
 H                  1.07082000   16.26718900    4.58916700
 C                  0.19058900   15.89526100    2.66631900
 C                  0.05926500   14.95106000    1.65518700
 H                 -0.50923100   15.19487100    0.76131300
 O                  3.27693500    9.91873300    3.37929400
 C                  4.56164768    9.25666026    3.45216377
 C                  3.44817462    9.56805094    4.77431812
 H                  4.48890255    8.17501146    3.44579253
 H                  5.30674413    9.71117261    2.81283051
 C                 -0.40078700    7.32901900    1.87343600
 H                  0.59634400    6.89889600    2.00270800
 H                 -0.65042200    7.85735500    2.79712900
 H                 -1.11120600    6.50799900    1.75670400
 C                  2.36537100   13.93738600    5.12851000
 H                  1.88473700   13.13859100    5.70239700
 H                  3.35559600   13.57006800    4.84369700
 H                  2.48904200   14.79994700    5.78709700
 C                 -0.45036400   17.25550400    2.56309100
 H                 -1.21142100   17.39735400    3.33734300
 H                  0.28794400   18.05413400    2.68473000
 H                 -0.93394500   17.39116600    1.59275800
 C                 -2.46050500    8.50728700   -2.55900300
 H                 -2.27952900    7.54261100   -3.04430200
 H                 -3.47022800    8.47267900   -2.13922000
 H                 -2.44308300    9.27818400   -3.33277400
 C                  6.52472700    9.78369200    0.31449400
 H                  6.73477200   10.05601900    1.35317100
 H                  5.86869200    8.90829100    0.34895700
 H                  7.46274000    9.49313600   -0.16385000
 C                  6.48150400   13.08287100   -3.51159400
 H                  7.42106700   13.59007800   -3.26888900
 H                  6.71635400   12.30064200   -4.23979900
 H                  5.82724100   13.80989800   -3.99847600
 H                  2.57885615    9.05118040    5.17035027
 C                  4.03260889   10.61596648    5.68450797
 H                  3.50162223   10.58509929    6.64170238
 H                  5.07163845   10.33196415    5.87692639
 O                  4.02455457   11.90325387    5.12704325
 C                  4.83261705   12.19212023    3.98315023
 O                  4.27824775   12.63796996    2.89352902
 O                  6.11979938   12.00823667    4.03540157
 H                  2.87258186   12.50014269    3.17239123 
 
 B 73 72 F
 






