%chk=Ensemble-CO2-2Al.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                 2.10601500   10.69945100    1.74786200
 N                  1.94688600   11.98359200    0.14545900
 O                  3.53003500   11.65583100    2.43414100
 O                  0.86370300    9.60891000    0.94017300
 O                  0.84851600   11.48651400    2.82711600
 C                  2.88660100   13.13946100    0.20822700
 H                  2.53147500   13.78488800    1.01458600
 H                  2.81020400   13.70043100   -0.73060000
 C                  4.30550200   12.74943000    0.48961500
 C                  4.54710000   12.03070900    1.67019700
 C                  5.87689600   11.72261700    2.02019700
 C                  6.90719300   12.13090900    1.18076400
 H                  7.93097300   11.88428900    1.45515300
 C                  6.67851000   12.83220400   -0.00737400
 C                  5.36013400   13.13170800   -0.33556900
 H                  5.14277700   13.67988200   -1.24944300
 C                  2.22020600   11.21840000   -1.10120300
 H                  3.25280800   10.86416600   -1.02449100
 H                  2.17985500   11.91571700   -1.94740600
 C                  1.29449900   10.05541300   -1.37068400
 C                  0.72114800    9.29834800   -0.33199000
 C                 -0.08485100    8.18488100   -0.67134900
 C                 -0.28834800    7.86268500   -2.00470400
 H                 -0.90921400    7.00217700   -2.24597200
 C                  0.27202700    8.60921600   -3.04702200
 C                  1.05291100    9.70402800   -2.70091000
 H                  1.49572000   10.31164200   -3.48724500
 C                  0.55282900   12.51321800    0.13414800
 H                 -0.11794500   11.66367900    0.00594400
 H                  0.43937800   13.16140300   -0.74267100
 C                  0.17507300   13.27434400    1.38088300
 C                  0.30462100   12.69191000    2.65691300
 C                 -0.16252300   13.40825100    3.77946800
 C                 -0.70493700   14.67587300    3.60329900
 H                 -1.05607500   15.21298400    4.48173600
 C                 -0.81125100   15.28050500    2.35013800
 C                 -0.36377700   14.55492300    1.25289400
 H                 -0.43858000   14.99046700    0.25946100
 O                  2.45117100    9.25359600    3.10824900
 C                  2.60163500   10.16947500    5.28059400
 C                  2.24831300    8.91849900    4.48136100
 H                  3.44038700   10.68815400    4.81521700
 H                  1.75264100   10.84526200    5.30618400
 C                 -0.70038000    7.38613300    0.44224900
 H                  0.06887800    6.97941800    1.10642300
 H                 -1.34498700    8.01181400    1.06768800
 H                 -1.29415200    6.55641700    0.05083700
 C                 -0.06551800   12.80685100    5.15316400
 H                 -0.35156800   11.75288900    5.16134300
 H                  0.95897000   12.86653200    5.53394600
 H                 -0.71072200   13.34499800    5.85092800
 C                 -1.41906500   16.65162000    2.19923900
 H                 -2.50080300   16.62786100    2.37037000
 H                 -0.99416000   17.35828700    2.91856400
 H                 -1.25173400   17.05150400    1.19618000
 C                  0.03380900    8.22686500   -4.48590100
 H                  0.52153400    7.27775800   -4.73346900
 H                 -1.03331400    8.10411100   -4.69634200
 H                  0.42451300    8.98594400   -5.16830600
 C                  6.13975700   10.95857700    3.28538900
 H                  5.75482900   11.50629400    4.14918800
 H                  5.63844200    9.98602300    3.27414300
 H                  7.20911600   10.79182900    3.43494600
 C                  7.82866900   13.24536400   -0.89090400
 H                  8.49812400   13.94341800   -0.37743900
 H                  8.43137000   12.38245000   -1.19207400
 H                  7.47090200   13.73544700   -1.79967100
 H                  2.92551700    8.09149900    4.70607500
 C                  0.82187700    8.43240600    4.64894900
 H                  0.68332600    7.58486800    3.96448300
 H                  0.70854500    8.06232500    5.67125900
 O                 -0.16084300    9.41697700    4.44343800
 H                  0.10724800   10.02988400    3.73719400
 O                  2.93264800    9.84818500    6.65791300
 C                  4.26328700    9.30496000    6.78883800
 H                  4.25330400    8.64514700    7.65585200
 H                  4.48344800    8.69750400    5.91126100
 Al                 2.11860800   11.15989100    7.97969900
 O                  3.25751100   10.41555400    9.32181800
 O                  2.99853400   12.39327400    7.09464400
 O                  0.55457500   10.43662200    7.69752700
 C                  3.12689100   10.34774900   10.72527900
 C                  3.03520000   13.73219800    7.20657800
 C                 -0.69025000   10.83243600    8.02979900
 C                  2.12001600   11.06401200   11.35417200
 C                  4.03540200    9.55414000   11.42728900
 C                  2.74913300   14.36125400    8.41970200
 C                  3.35620700   14.49376100    6.07127700
 C                 -0.93975700   12.10471800    8.55818100
 C                 -1.75304000    9.92605400    7.87764400
 C                  1.02664500   11.80914300   10.63669100
 C                  2.04424400   10.99225700   12.74573200
 C                  3.91304100    9.51120300   12.81099900
 C                  5.11388100    8.77235500   10.73035200
 C                  2.41752600   13.53595300    9.63299700
 C                  2.77901400   15.75322700    8.49807200
 C                  3.38468500   15.87774500    6.19147900
 C                  3.66465900   13.79838800    4.77774300
 C                  0.17760700   13.08747200    8.77211600
 C                 -2.24226700   12.47727800    8.88869600
 C                 -3.03782300   10.33714300    8.21374100
 C                 -1.50054000    8.54769000    7.34097300
 N                  1.40546800   12.46895700    9.36335200
 H                  0.22354900   11.10314900   10.41523600
 H                  0.60939300   12.56687000   11.30797900
 C                  2.92820700   10.22545400   13.49205700
 H                  1.26062600   11.55009500   13.24883200
 H                  4.60963300    8.89533100   13.37186500
 H                  4.72889500    8.23708500    9.85896900
 H                  5.92680600    9.42511500   10.39982600
 H                  5.54181000    8.03747100   11.41294400
 H                  3.31547600   13.04353400   10.01761000
 H                  2.03156500   14.18125700   10.42872700
 C                  3.10116500   16.53248800    7.39334900
 H                  2.54383200   16.23157200    9.44497300
 H                  3.63326800   16.46944500    5.31372200
 H                  4.48516800   13.08691700    4.90392800
 H                  2.82058600   13.21559600    4.40159800
 H                  3.94919200   14.51601200    4.00549600
 H                  0.46832300   13.55033200    7.82630700
 H                 -0.15557600   13.89146100    9.43621000
 C                 -3.31355300   11.61200100    8.71028700
 H                 -2.41182600   13.46669000    9.30475400
 H                 -3.85455600    9.63016200    8.08950800
 H                 -1.35248000    8.59172000    6.25943500
 H                 -0.59909200    8.11203900    7.77863600
 H                 -2.34680900    7.88962500    7.55061900
 C                  2.83456600   10.15964900   14.99217900
 C                  3.13606800   18.03678200    7.47296500
 C                 -4.72538500   12.02452300    9.03515700
 H                  2.73608000    9.12500800   15.33240300
 H                  3.73522900   10.57118700   15.45713900
 H                  1.97485300   10.72252900   15.36033800
 H                  4.11120500   18.42734200    7.16651200
 H                  2.38690700   18.48550600    6.81297500
 H                  2.93909400   18.38432700    8.48959400
 H                 -5.31003400   12.17156000    8.12113400
 H                 -5.23727500   11.26168900    9.62867700
 H                 -4.74594700   12.96180300    9.59603800
 C                  5.31303700   10.36878100    6.91526300
 C                  6.51305500   10.07541000    7.68927300
 O                  5.48293900   10.92063600    8.24108400
 H                  5.34726500   11.12337900    6.13909800
 H                  6.61385900    9.10564900    8.16631700
 H                  7.43173400   10.60427700    7.46470200
 H                  4.22702400   10.52686300    9.05631200
 C                  4.47417526    8.08149192    1.53153539
 O                  4.16071347    8.92883780    0.65493155
 O                  4.77432404    7.27013361    2.37090906
 






