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

Dimer

0 1
 Al                 2.02448000   12.42629300    1.98792600
 N                  0.84657600   13.66214400    0.75207100
 O                  3.43008400   12.63978300    0.93228700
 O                  0.89893600   10.96445400    1.42446900
 O                  1.62569800   13.40834000    3.40592300
 C                  1.71958400   14.78384700    0.28489000
 H                  2.13714400   15.26056600    1.17615700
 H                  1.09024700   15.52486500   -0.21979200
 C                  2.82317600   14.33418400   -0.62618600
 C                  3.63740800   13.27069700   -0.22460300
 C                  4.69039300   12.84817100   -1.05623200
 C                  4.89441100   13.50669800   -2.26290400
 H                  5.70708800   13.17486900   -2.90506800
 C                  4.08833200   14.56872400   -2.68431300
 C                  3.04970900   14.96354500   -1.84911000
 H                  2.39455900   15.77717600   -2.14985800
 C                  0.32520700   12.93675400   -0.44147300
 H                  1.17505300   12.47390600   -0.94744300
 H                 -0.11696900   13.66326600   -1.13152900
 C                 -0.69054200   11.89504200   -0.07796500
 C                 -0.37936100   10.92592700    0.86646500
 C                 -1.30642000    9.97799700    1.29289000
 C                 -2.56266800   10.00471100    0.68775000
 H                 -3.29996900    9.27324700    1.00609600
 C                 -2.90876200   10.94052900   -0.28389200
 C                 -1.96051700   11.89486700   -0.64294000
 H                 -2.21054400   12.65969700   -1.37142200
 C                 -0.30264700   14.23711400    1.51465600
 H                 -0.90393200   13.39939300    1.87719100
 H                 -0.92581400   14.81478700    0.82294500
 C                  0.11316100   15.09545300    2.67356900
 C                  1.05311200   14.60106200    3.58207500
 C                  1.40884000   15.36919400    4.70514700
 C                  0.81269100   16.61212400    4.88012000
 H                  1.09133900   17.20361800    5.74934200
 C                 -0.12218100   17.12938700    3.97805000
 C                 -0.45582800   16.35209700    2.87498500
 H                 -1.17666100   16.72357000    2.15118500
 C                 -0.98669600    8.96691200    2.35710600
 H                 -1.90306100    8.63999100    2.85177300
 H                 -0.51191500    8.08124700    1.92495500
 H                 -0.30825200    9.37125800    3.11001300
 C                  2.41802800   14.82525800    5.67611800
 H                  3.36302400   14.59597500    5.17470900
 H                  2.61520000   15.54158600    6.47681100
 H                  2.06837200   13.89104700    6.12633600
 C                 -0.73358300   18.48934600    4.19845700
 H                 -1.24686800   18.54442200    5.16352000
 H                  0.03041100   19.27329700    4.19419500
 H                 -1.46078500   18.72711400    3.41857200
 C                 -4.26892000   10.91340300   -0.92803600
 H                 -4.31012200   10.14486100   -1.70664300
 H                 -5.04861500   10.68187500   -0.19832000
 H                 -4.50603100   11.87194700   -1.39434800
 C                  5.55299100   11.69687400   -0.62369200
 H                  6.32908300   11.49040400   -1.36403600
 H                  6.03609900   11.90240600    0.33616400
 H                  4.95832400   10.78838900   -0.48501300
 C                  4.34367900   15.25125300   -4.00372900
 H                  4.35824100   14.53035300   -4.82676100
 H                  3.57248300   15.99412700   -4.22051400
 H                  5.31078500   15.76433900   -4.00579700
 O                  1.48714400   10.23752300    4.41853900
 H                  1.89519200    8.33256000    2.51920100
 C                  2.61402300   10.55705500    4.04213400
 O                  3.61010100   10.06706800    4.78765800
 O                  2.98159700   11.21401700    3.01874000
 C                  3.02034200    9.30382100    5.86061700
 C                  1.67843500    8.71560100    5.36919400
 H                  2.77316800   10.00790800    6.66148100
 O                  1.58469500    7.95982300    4.17456500
 C                  1.67755700    7.16316300    5.36468500
 H                  0.76822300    9.06053000    5.84431400
 H                  0.73427800    6.66385900    5.58658300
 O                  2.04456700    8.70628900    1.62551300
 H                  2.99276800    8.86455100    1.56995600
 H                  1.31723000   10.03775200    1.53993200
 C                  4.06441200    8.31160500    6.33774200
 C                  2.90092300    6.29386400    5.46218900
 C                  4.18765800    7.11587900    5.40119800
 H                  5.01518500    8.84013000    6.44616900
 H                  3.77342300    7.96663100    7.33587800
 H                  4.36801500    7.46681900    4.37990700
 H                  5.04323900    6.49613000    5.68143200
 H                  2.85360300    5.76504800    6.42168100
 H                  2.88381700    5.52783800    4.67698700
 
 B 63 69 S 5 -0.05

 
 
