%chk=Scan-CC.chk
%nprocshared=8
%mem=20GB
#p opt=(modredundant,noeigentest) wb97xd/6-31G* nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 1.25323400   10.06704600    2.52592400
 N                  2.55557600   11.39782900    1.35596100
 O                  2.74636000    9.32722900    3.20584100
 O                  0.57177900    9.45837500    0.98878700
 O                  0.47048500   11.51988000    3.21464700
 C                  3.74683600   11.76938500    2.15805500
 H                  3.37134700   12.24611000    3.06464100
 H                  4.32972800   12.52415200    1.61275300
 C                  4.63151500   10.61707200    2.53284900
 C                  4.05671200    9.45860900    3.07126000
 C                  4.89397400    8.39846800    3.47935600
 C                  6.26962600    8.53186000    3.33994400
 H                  6.90744700    7.71055800    3.66030800
 C                  6.85961700    9.67722700    2.79754400
 C                  6.01658900   10.70813500    2.39750500
 H                  6.44092800   11.61289000    1.96911700
 C                  2.98507100   10.69554400    0.12198100
 H                  3.48558800    9.77392300    0.43342200
 H                  3.72989700   11.30997100   -0.40118100
 C                  1.85046300   10.36993600   -0.80744600
 C                  0.69951300    9.75289100   -0.29748500
 C                 -0.35618200    9.43383900   -1.17722400
 C                 -0.22000600    9.72065900   -2.52938600
 H                 -1.03732000    9.46600700   -3.20075800
 C                  0.92412000   10.32798800   -3.05569000
 C                  1.94458600   10.65347800   -2.16972600
 H                  2.84390500   11.13887400   -2.54138500
 C                  1.82212800   12.64034500    0.99811200
 H                  0.93212500   12.34437500    0.43668400
 H                  2.44809600   13.24540900    0.32831700
 C                  1.42267000   13.45254500    2.19846700
 C                  0.75045500   12.81539300    3.25006000
 C                  0.37800400   13.56400800    4.38466900
 C                  0.68179200   14.91877900    4.43155200
 H                  0.40652600   15.48383900    5.31951800
 C                  1.34827500   15.57140700    3.39058100
 C                  1.71459700   14.81318800    2.28307100
 H                  2.25235700   15.28507800    1.46414200
 O                  0.96456800    9.51560000    5.46393100
 C                  2.65394900   10.41096100    6.77062200
 C                  1.70396200    9.22947600    6.64144400
 H                  3.09669000   10.64688300    5.80218600
 H                  2.12641100   11.28855600    7.14021000
 C                 -1.59885400    8.79827100   -0.62178500
 H                 -1.36572500    7.86990800   -0.09215700
 H                 -2.08563800    9.45598800    0.10541700
 H                 -2.31469800    8.57354900   -1.41606100
 C                 -0.29235200   12.85543300    5.52648900
 H                 -1.28455100   12.48969300    5.24213400
 H                  0.28521300   11.97443500    5.81631400
 H                 -0.40218800   13.51419300    6.39134500
 C                  1.66362600   17.04274900    3.48159500
 H                  0.76208700   17.65282500    3.35987800
 H                  2.09702700   17.29680800    4.45382100
 H                  2.37362700   17.34437900    2.70750100
 C                  1.03772700   10.60637700   -4.53308900
 H                  1.08027700    9.67621000   -5.10971100
 H                  0.17825800   11.17492700   -4.90137400
 H                  1.94116100   11.17754500   -4.76038000
 C                  4.26809900    7.14723500    4.02666300
 H                  3.46330100    7.38041200    4.72789800
 H                  3.80931100    6.55750000    3.22522000
 H                  5.01065100    6.52007300    4.52562700
 C                  8.35604100    9.77768700    2.64525700
 H                  8.86909000    9.67071600    3.60666600
 H                  8.74277100    8.99322500    1.98673000
 H                  8.64477700   10.74143800    2.21917700
 H                  2.25744200    8.29608800    6.50886700
 C                  0.77965600    9.07811500    7.83212000
 H                  0.20967800    8.14923900    7.72218100
 H                  1.38592500    9.01892600    8.73574000
 O                 -0.07965200   10.19237500    7.98243000
 H                 -0.58575400   10.26720500    7.16835000
 O                  3.71637900   10.12166700    7.72211500
 C                  4.76161400    9.31131500    7.14300100
 H                  5.19972900    8.73514200    7.95629200
 H                  4.31414200    8.61027700    6.43868300
 Al                 4.02874000   11.61001400    9.05709200
 O                  5.66423700   10.77466900    9.55846700
 O                  4.32366400   12.61425000    7.64822000
 O                  2.55883900   11.14341600    9.89043100
 C                  6.41097300   10.83955300   10.75414900
 C                  4.61449200   13.91310600    7.48517300
 C                  1.83242600   11.75884400   10.84692400
 C                  6.07057800   11.76584300   11.73002800
 C                  7.48112400    9.95594800   10.89866000
 C                  5.12891600   14.68362600    8.52812300
 C                  4.38835800   14.49097700    6.22723500
 C                  2.06197200   13.09953100   11.17956100
 C                  0.86206900   11.03060300   11.55683300
 C                  4.83371900   12.62542200   11.69914000
 C                  6.86514400   11.81967900   12.87642300
 C                  8.23515900   10.04493900   12.06234300
 C                  7.82152300    8.94224200    9.84293000
 C                  5.48538900   14.02908700    9.83312800
 C                  5.35195500   16.04659600    8.33039600
 C                  4.63251800   15.84736800    6.06144800
 C                  3.92276200   13.61388200    5.10532400
 C                  3.14058000   13.88077400   10.48557300
 C                  1.30699500   13.71397000   12.17639300
 C                  0.12442200   11.68169400   12.54038600
 C                  0.61345000    9.58033400   11.25747400
 N                  4.42526900   13.12047000   10.36219400
 H                  4.00500200   12.04331300   12.10678900
 H                  4.97477300   13.48419600   12.36342700
 C                  7.95079100   10.97449100   13.06119600
 H                  6.61166500   12.54431100   13.64347800
 H                  9.06822800    9.36058100   12.19039600
 H                  6.93290000    8.42255000    9.47744100
 H                  8.31880000    9.41219900    8.98941500
 H                  8.50573600    8.19502700   10.24614000
 H                  6.39398600   13.43133200    9.71236300
 H                  5.69305400   14.79110000   10.59133700
 C                  5.10252600   16.65226400    7.10438800
 H                  5.73189400   16.64008200    9.15753500
 H                  4.44659500   16.29511300    5.08781300
 H                  4.67808000   12.85458100    4.87659600
 H                  3.00405400   13.08351000    5.36708400
 H                  3.73669900   14.19861700    4.20396500
 H                  2.82953000   14.15543000    9.47323800
 H                  3.33842300   14.81061700   11.02795800
 C                  0.31602000   13.02555400   12.86338700
 H                  1.51112400   14.75297300   12.41985900
 H                 -0.62489100   11.11116600   13.08386400
 H                 -0.02100800    9.47783900   10.37323400
 H                  1.54699500    9.04911800   11.05908900
 H                  0.10929200    9.09569500   12.09647900
 C                  8.79853000   11.04414800   14.30214000
 C                  5.33089900   18.12637500    6.89177000
 C                 -0.51850700   13.69366900   13.92427700
 H                  8.82000100   10.07758700   14.81329100
 H                  9.83186800   11.30329600   14.05348600
 H                  8.41954800   11.79124000   15.00209900
 H                  6.06631100   18.30568500    6.10124000
 H                  4.40651800   18.63097900    6.59354800
 H                  5.69561300   18.60534500    7.80335300
 H                 -1.55318100   13.82162600   13.58968100
 H                 -0.54576600   13.10011500   14.84278200
 H                 -0.12485000   14.68225200   14.17143900
 C                  5.79054800   10.13401600    6.42773000
 C                  7.17418400    9.67877600    6.42121600
 O                  6.77222800   10.76633800    7.28319700
 H                  5.44162800   10.77575400    5.62607000
 H                  7.43482900    8.75808000    6.93341100
 H                  7.82907500    9.99093300    5.61709100
 H                  6.26760200   10.68812900    8.74795500
 C                  0.57131600    8.45583100    4.67785200
 O                  0.22775700    8.84187800    3.51013600
 O                  0.53705700    7.32738800    5.12543100
 
 B 149 40 S 6 -0.4
 






