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

Dimer

0 1
 Al                 2.38959400   10.60343300    1.94695000
 N                  1.91056300   11.79653000    0.20427000
 O                  3.98768200   10.13040500    0.58896200
 O                  1.47391900    9.19700100    1.29928400
 O                  1.17160500   11.47494200    2.98617000
 C                  2.98050400   12.73070200   -0.22604000
 H                  3.17278100   13.41146400    0.60342500
 H                  2.59082700   13.33036200   -1.05783400
 C                  4.28953500   12.11871100   -0.67084000
 C                  4.77631600   10.88582700   -0.25591600
 C                  6.01202300   10.38843500   -0.67898000
 C                  6.77393800   11.18019100   -1.52826100
 H                  7.73698300   10.80502300   -1.86266700
 C                  6.33465500   12.43138500   -1.96311200
 C                  5.09232900   12.87402100   -1.52843600
 H                  4.72192300   13.83825300   -1.86477300
 C                  1.56606300   10.91218700   -0.95424800
 H                  2.45938500   10.34291400   -1.21075800
 H                  1.32675500   11.55405300   -1.81043800
 C                  0.42425100    9.97206100   -0.69005200
 C                  0.46392200    9.14520000    0.44248600
 C                 -0.58482000    8.22700200    0.65705800
 C                 -1.62815600    8.16476000   -0.25873400
 H                 -2.43167100    7.45247700   -0.08356600
 C                 -1.68524800    8.98635400   -1.38849600
 C                 -0.64663400    9.89057700   -1.57946200
 H                 -0.66046900   10.55045400   -2.44382200
 C                  0.70093700   12.61829300    0.50294700
 H                 -0.12771700   11.91666200    0.61804000
 H                  0.48367200   13.24609500   -0.36927700
 C                  0.78453200   13.45344100    1.74344700
 C                  0.91820700   12.78073200    2.97046600
 C                  0.73518500   13.50286000    4.16398900
 C                  0.53487800   14.88092700    4.09098200
 H                  0.40412700   15.43126600    5.02016800
 C                  0.48867000   15.57484600    2.88241400
 C                  0.59407500   14.82950200    1.70917600
 H                  0.50254900   15.32440000    0.74517300
 O                  3.84152700   12.08708900    2.38686800
 C                  3.98903400   12.46168000    3.77759200
 C                  4.90655200   11.49999000    3.18312800
 H                  4.28360700   13.49557900    3.91456000
 H                  3.19850700   12.08313800    4.41225800
 C                 -0.54115100    7.34045800    1.86912100
 H                  0.27151500    6.60928400    1.79906000
 H                 -0.35325200    7.92500200    2.77306100
 H                 -1.47965600    6.79372400    1.98880500
 C                  0.73437900   12.78983700    5.48820100
 H                  0.25925600   11.81017400    5.39923900
 H                  1.74665900   12.62618600    5.87124800
 H                  0.19377600   13.37172200    6.23872300
 C                  0.32507100   17.07281200    2.84203500
 H                 -0.11828900   17.44911800    3.76739700
 H                  1.29065700   17.57469400    2.71357700
 H                 -0.31464200   17.38229500    2.01076400
 C                 -2.85062500    8.90705600   -2.34184200
 H                 -3.08404400    7.86961900   -2.59927300
 H                 -3.75503500    9.34257900   -1.90312800
 H                 -2.64162000    9.44504800   -3.26984100
 C                  6.49222800    9.03761400   -0.22078800
 H                  6.64636600    9.00769600    0.86292000
 H                  5.78588400    8.24092800   -0.48252600
 H                  7.44226200    8.79174800   -0.69621400
 C                  7.18436500   13.26184700   -2.88829200
 H                  8.17991500   13.42459400   -2.46554400
 H                  7.31769300   12.76348200   -3.85334200
 H                  6.73048700   14.23769100   -3.07247500
 H                  5.89418400   11.83094000    2.87897500
 C                  4.67766700   10.01344100    3.41290400
 H                  5.37426900    9.45382700    2.76915300
 H                  4.95960400    9.78506600    4.45011400
 O                  3.35716200    9.68100400    3.16747200
 H                  4.30146900    9.22345800    0.68136200






