%nprocshared=12
%mem=20GB
#p opt=(modredundant,noeigentest) iop(1/8=10) wb97xd/6-31G* nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 2.44126800   10.72617900    1.51792800
 N                  1.75348300   12.04610700    0.14184700
 O                  4.19275300   10.93211200    1.22123900
 O                  2.10832400    9.24793700    0.52781500
 O                  2.56586800   12.42313200    2.74193500
 C                  2.84228800   13.00650900   -0.22929200
 H                  3.06384600   13.61074300    0.65044800
 H                  2.45257300   13.67908400   -1.00060100
 C                  4.10340100   12.33779300   -0.71014600
 C                  4.72303900   11.34970900    0.07244400
 C                  5.93841800   10.78764700   -0.36572600
 C                  6.49526000   11.22508000   -1.56063000
 H                  7.43264100   10.78284300   -1.89086900
 C                  5.88850400   12.20017100   -2.35744900
 C                  4.68754500   12.73872600   -1.91191300
 H                  4.18534900   13.49629300   -2.50848300
 C                  1.33904500   11.32061600   -1.10582200
 H                  2.26080500   10.96419100   -1.56969000
 H                  0.87942800   12.04835100   -1.78237000
 C                  0.42882700   10.15362100   -0.86497300
 C                  0.91396400    9.11969700   -0.05364800
 C                  0.13048600    7.96945600    0.14523500
 C                 -1.10869700    7.89123000   -0.48047800
 H                 -1.71443000    7.00146800   -0.32254700
 C                 -1.61040300    8.91465200   -1.29131800
 C                 -0.82268200   10.04751700   -1.46756100
 H                 -1.17957800   10.86300500   -2.09193100
 C                  0.56927700   12.77882100    0.66658100
 H                 -0.16180100   12.02715900    0.97197100
 H                  0.13065200   13.34741300   -0.15971300
 C                  0.82510400   13.73855800    1.80660600
 C                  1.76925800   13.54894200    2.81512600
 C                  1.95428700   14.49513000    3.82834100
 C                  1.13154500   15.61714800    3.83132700
 H                  1.27123600   16.35413600    4.61692200
 C                  0.15737700   15.83191000    2.85983000
 C                  0.03220200   14.88493600    1.85231200
 H                 -0.69877100   15.03793600    1.06387900
 O                  4.27036300   11.50277100    4.68710400
 C                  3.47515200   11.04085600    5.79630400
 C                  4.29409700   10.11206000    5.02962600
 H                  3.81819500   11.37802900    6.76891100
 H                  2.40179500   11.07338900    5.63410300
 C                  0.63921700    6.88047200    1.04624900
 H                  1.60115300    6.49121000    0.69968900
 H                  0.79929700    7.25685500    2.06181400
 H                 -0.07023200    6.05153900    1.09856300
 C                  3.00037400   14.32706000    4.89656000
 H                  2.70747300   13.56501700    5.62395200
 H                  3.97444400   14.04680400    4.48726300
 H                  3.13050300   15.26439000    5.43893100
 C                 -0.72388800   17.05163400    2.90404600
 H                 -1.49257300   16.95074100    3.67714600
 H                 -0.14536100   17.94987800    3.13575900
 H                 -1.23079300   17.20771600    1.94933500
 C                 -2.95746900    8.77860300   -1.95480900
 H                 -2.94726000    7.99532000   -2.72003700
 H                 -3.73400700    8.51304200   -1.23123700
 H                 -3.25498000    9.71150700   -2.43966600
 C                  6.59020400    9.72473100    0.47266000
 H                  6.79590400   10.08993200    1.48347200
 H                  5.93517000    8.85449500    0.58047300
 H                  7.53073000    9.39447200    0.02605400
 C                  6.52673100   12.64788800   -3.64719500
 H                  7.46471400   13.18258000   -3.46354400
 H                  6.76331900   11.79570000   -4.29182700
 H                  5.86699700   13.31659400   -4.20517700
 H                  5.23544600    9.78213800    5.46030800
 C                  3.72233100    9.14699500    4.02381000
 H                  4.49325200    8.81743700    3.32885300
 H                  3.29366500    8.28023000    4.52995300
 O                  2.72135700    9.77044900    3.22996500
 C                  1.31715100    9.74066800    3.50692300
 O                  0.87958700    9.14975000    4.45233600
 O                  0.80680400   10.43127300    2.57420300
 H                  4.56845320   12.22187966    4.12529890
 
 B 74 41 S 6 -0.33
 B 39 76 F





