%chk=CC-Ep.chk
%nprocshared=12
%mem=20GB
#p opt=(noeigentest) iop(1/8=10) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 2.81386500    9.20007200    2.89411500
 N                  4.20143400   10.45799800    2.05233600
 O                  3.99386800    8.09361700    3.56371200
 O                  1.85392600    9.04251000    1.43786300
 O                  2.28128700   10.66843400    4.05699500
 C                  5.49895100   10.37442500    2.79887400
 H                  5.30675900   10.71784000    3.82045100
 H                  6.20353800   11.07997100    2.34212800
 C                  6.08414200    8.98985400    2.82846000
 C                  5.28773200    7.91502200    3.23974400
 C                  5.83325800    6.62274000    3.32805600
 C                  7.17117000    6.44234800    2.98992600
 H                  7.59461200    5.44112200    3.05478600
 C                  7.98686600    7.49879800    2.56652600
 C                  7.41959400    8.76795800    2.48677500
 H                  8.02507800    9.61050000    2.15803500
 C                  4.41932900    9.97445100    0.64836200
 H                  4.73056300    8.92656500    0.71980200
 H                  5.25927100   10.53537900    0.22161200
 C                  3.20501000   10.09838900   -0.22773200
 C                  1.98028400    9.58697000    0.21634100
 C                  0.84955200    9.63968300   -0.61786800
 C                  0.97891600   10.21948500   -1.87671000
 H                  0.10302900   10.26223600   -2.52256700
 C                  2.18924900   10.75119100   -2.33796800
 C                  3.29275500   10.68535500   -1.49129700
 H                  4.24843600   11.09158700   -1.81729700
 C                  3.74453700   11.87837300    2.00118900
 H                  2.78056100   11.89554600    1.48335600
 H                  4.45405700   12.45182300    1.39415500
 C                  3.61387000   12.51149900    3.35817300
 C                  2.87127600   11.90799400    4.36344000
 C                  2.71147300   12.44735600    5.63432500
 C                  3.32592400   13.67827500    5.87215400
 H                  3.21559200   14.12741200    6.85605600
 C                  4.08012400   14.33442600    4.89884600
 C                  4.22506000   13.72800800    3.64986400
 H                  4.82256000   14.21014800    2.88023200
 O                  0.18954800    3.17937200    5.06955300
 C                  0.45171100    4.48031300    5.31553400
 C                 -0.21173000    5.35601600    4.23994900
 H                  0.06702200    4.84358100    6.29662400
 H                  1.53808400    4.76514200    5.31284500
 C                 -0.45568800    9.07688000   -0.12622000
 H                 -0.35293600    8.01956900    0.14420600
 H                 -0.80108000    9.60021100    0.77322700
 H                 -1.23252100    9.16149400   -0.89212100
 C                  1.92474300   11.72951500    6.69837500
 H                  0.86789500   11.61379200    6.42374900
 H                  2.33486700   10.73210900    6.89929100
 H                  1.95280600   12.29130200    7.63477900
 C                  4.71324900   15.67229600    5.17919400
 H                  4.06780900   16.48712000    4.82933800
 H                  4.87821500   15.81840900    6.25080800
 H                  5.67457800   15.77252600    4.66579300
 C                  2.28758700   11.36592900   -3.71189800
 H                  2.16824300   10.60902600   -4.49692500
 H                  1.50820100   12.12034700   -3.87030800
 H                  3.25834000   11.84905000   -3.86188700
 C                  4.96090600    5.48362300    3.77869100
 H                  4.62611900    5.62731600    4.81328400
 H                  4.05456400    5.41475900    3.16690300
 H                  5.49494100    4.53128400    3.72048300
 C                  9.43362400    7.25705100    2.21520700
 H                 10.00706100    6.93190800    3.09179000
 H                  9.53460900    6.47355100    1.45513700
 H                  9.90548800    8.16483300    1.82599000
 H                 -1.28598100    5.18201700    4.20832800
 C                  0.45455200    5.24926900    2.87100500
 H                  1.06237400    4.34761200    2.76500500
 H                 -0.22815800    5.37214800    2.02806200
 O                  1.34455600    6.40720600    2.86512400
 C                  0.93853500    7.23682000    3.78704500
 O                 -0.02556900    6.79334300    4.53652100
 O                  1.41964900    8.37020400    3.94767700
 H                  1.59378100   10.41585600    4.70011100
 H                  1.06288900    2.66133400    4.03762500
 O                  1.74795100    2.35176800    3.29973600
 C                  2.99973000    2.33097600    3.91099800
 H                  3.12427100    1.47736000    4.60326200
 H                  3.18779400    3.24147100    4.50834000
 C                  4.06737200    2.23888400    2.85005500
 C                  4.69897100    0.97081300    2.48723500
 O                  5.38403200    1.92448500    3.30301400
 H                  4.02991900    3.02474600    2.09351000
 H                  4.39636600    0.05723100    2.99920800
 H                  5.11374500    0.83375500    1.48893500
 






