%chk=Carb-2Al.chk
%nprocshared=8
%mem=20GB
#p opt(noeigentest) iop(1/8=1) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 1.81602400   10.55928100   -1.62766700
 N                  2.12651900   12.36592100   -0.75866900
 O                  3.69583000   10.15634100   -1.35390500
 O                  0.70995800    9.94518400   -0.41498600
 O                  1.41101600   11.19651500   -3.19946100
 C                  3.45564500   12.95173900   -1.10419100
 H                  3.52735600   12.97428400   -2.19612600
 H                  3.47897500   13.98907600   -0.75186900
 C                  4.61562000   12.19686200   -0.52084300
 C                  4.72914500   10.82367100   -0.66516900
 C                  5.78669800   10.07887900   -0.14675300
 C                  6.77576200   10.78764500    0.53271700
 H                  7.61771200   10.23583600    0.94372300
 C                  6.71638200   12.17208800    0.71175700
 C                  5.62157900   12.85799100    0.18347200
 H                  5.53927300   13.93265500    0.32279700
 C                  1.99948800   12.23422300    0.72868200
 H                  2.77285400   11.53406700    1.06079000
 H                  2.22287100   13.20779700    1.18046300
 C                  0.64463000   11.75225700    1.16841400
 C                  0.08016400   10.61264800    0.58055000
 C                 -1.16570100   10.13746600    1.02631100
 C                 -1.81261000   10.82278500    2.05137500
 H                 -2.77616100   10.45078500    2.39647400
 C                 -1.27443600   11.96890700    2.64593600
 C                 -0.04268200   12.42156500    2.18248300
 H                  0.40405400   13.31270800    2.61890600
 C                  1.05650600   13.29124000   -1.25471000
 H                  0.09887900   12.85557100   -0.95490400
 H                  1.16003400   14.24203900   -0.71829900
 C                  1.06655500   13.52184400   -2.74010200
 C                  1.20999500   12.45442700   -3.63248200
 C                  1.14061000   12.67458400   -5.01838600
 C                  0.89744500   13.96383100   -5.47447000
 H                  0.81623600   14.13025700   -6.54725700
 C                  0.74869700   15.05081300   -4.60471900
 C                  0.84915500   14.80781000   -3.23892300
 H                  0.73867700   15.63044000   -2.53476400
 O                  1.96277000    8.72905300   -2.38030700
 C                  2.03653700    8.36130000   -3.79455700
 C                  1.00058500    7.77949500   -2.94457300
 H                  2.93061800    7.78963100   -4.03005900
 H                  1.76977400    9.17937700   -4.45092100
 C                 -1.78050800    8.91967800    0.38482600
 H                 -1.06246700    8.10132100    0.31009700
 H                 -2.11595300    9.14891900   -0.63600800
 H                 -2.64588600    8.57687900    0.95709100
 C                  1.31375700   11.52071800   -5.95890800
 H                  0.58029600   10.72936100   -5.75067500
 H                  2.30775100   11.06882000   -5.85253400
 H                  1.19228800   11.83183300   -6.99983300
 C                  0.50428000   16.43645200   -5.14733400
 H                 -0.25925300   16.42396100   -5.93273600
 H                  1.41541300   16.85885100   -5.58965400
 H                  0.17647600   17.12172600   -4.36138400
 C                 -2.01766200   12.68925900    3.74296400
 H                 -1.42138700   13.50980500    4.15435400
 H                 -2.26985900   12.01058800    4.56600400
 H                 -2.95951700   13.11323300    3.37414400
 C                  5.84635500    8.58395700   -0.31916300
 H                  5.89970200    8.28678100   -1.37658200
 H                  4.98149200    8.08774300    0.12919000
 H                  6.74257700    8.18198200    0.16858100
 C                  7.80239200   12.89326200    1.45892600
 H                  8.76364100   12.81258600    0.92885700
 H                  7.94704100   12.46200000    2.45564800
 H                  7.57584700   13.95553100    1.57760100
 H                  1.16088400    6.78276100   -2.55046700
 C                 -0.42938200    8.24929800   -3.06225000
 H                 -0.47332500    9.31920100   -3.26386300
 H                 -1.00022400    7.99617400   -2.17407700
 O                 -1.02050300    7.61022100   -4.20021500
 C                 -1.31630900    6.30484700   -4.03037600
 O                 -1.13520700    5.58606300   -5.04082300
 O                 -1.69251300    5.95093900   -2.88776300
 Al                -1.79731200    8.71796300   -5.69994000
 N                 -2.65849700    9.83227000   -7.27810400
 O                 -1.76217300   10.17594100   -4.67186000
 O                 -3.24282900    7.70336800   -5.56633100
 O                 -0.35110600    8.39051300   -6.68333100
 C                 -2.06389800   11.19485800   -7.34691300
 C                 -4.12274700    9.94905600   -7.06361200
 C                 -2.39325800    9.12861400   -8.55931700
 C                 -2.10004600   11.46220300   -4.84062400
 C                 -4.34859300    7.56939600   -6.30424000
 C                 -0.00069300    8.66256000   -7.94577600
 H                 -0.99462000   11.06753200   -7.51278200
 H                 -2.47036500   11.71435900   -8.22758400
 C                 -2.29356100   12.02199100   -6.11530700
 H                 -4.26540700   10.43311500   -6.09425000
 H                 -4.53972200   10.61525500   -7.82768600
 C                 -4.83792000    8.62521600   -7.09047500
 H                 -2.79712000    8.11558200   -8.46253800
 H                 -2.95228200    9.62303100   -9.36366500
 C                 -0.93583300    9.06237500   -8.91600000
 C                 -2.26971200   12.27818400   -3.70088100
 C                 -5.03733500    6.34096000   -6.28218500
 C                  1.35541800    8.52943700   -8.31866900
 C                 -2.63181200   13.37255700   -6.23710000
 C                 -5.99080800    8.44931900   -7.85054000
 C                 -0.51493400    9.36898800  -10.21119600
 C                 -2.57774400   13.62335600   -3.86943900
 C                 -2.08297300   11.67457000   -2.33664200
 C                 -6.19138600    6.20922200   -7.04780100
 C                 -4.50646200    5.22617900   -5.42773900
 C                  1.73306300    8.82234700   -9.62457400
 C                  2.36586800    8.06815300   -7.29905700
 C                 -2.76946700   14.20164900   -5.12723300
 H                 -2.77335600   13.78531400   -7.23508500
 C                 -6.69312500    7.24985900   -7.84118400
 H                 -6.34576800    9.27559500   -8.46308100
 C                  0.81844200    9.25788800  -10.58996900
 H                 -1.25523900    9.69723200  -10.93695700
 H                 -2.68540900   14.24337800   -2.97797100
 H                 -1.07807400   11.24954100   -2.22684100
 H                 -2.78937900   10.85405700   -2.16660500
 H                 -2.22891600   12.42535900   -1.55465100
 H                 -6.71995700    5.25423000   -7.02779900
 H                 -3.43441300    5.05605900   -5.61250100
 H                 -5.07174900    4.29650200   -5.60400600
 H                 -4.58411000    5.48076800   -4.35806900
 H                  2.78169000    8.71330200   -9.89987600
 H                  1.98467000    7.21311800   -6.72481100
 H                  2.59332800    8.86328700   -6.58082100
 H                  3.30494300    7.77876800   -7.78305900
 C                 -3.12724000   15.66048600   -5.26677200
 C                 -7.96069400    7.07243200   -8.64125900
 C                  1.27009800    9.58033500  -11.99325300
 H                 -2.96148000   16.01627600   -6.28898700
 H                 -2.52967000   16.28443200   -4.59246000
 H                 -4.18234200   15.83664700   -5.02401400
 H                 -8.06581800    7.85975800   -9.39515000
 H                 -8.85047900    7.11077600   -7.99951100
 H                 -7.98091500    6.10699200   -9.15986400
 H                  1.70059800    8.70124200  -12.48848600
 H                  2.04096200   10.36040600  -11.99815800
 H                  0.43551700    9.93205000  -12.60842700
 H                  3.91898700    9.22297600   -1.52811400
 






