%chk=Post.chk
%nprocshared=12
%mem=22GB
#p opt freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 1.75311200   10.40465600   -1.85512900
 N                  1.92060200   12.37001700   -1.14267000
 O                  3.66102300   10.24736100   -1.43758700
 O                  0.69434700    9.93436700   -0.51191900
 O                  1.43645600   10.98363300   -3.48700500
 C                  3.22396800   12.99694200   -1.51193100
 H                  3.34905900   12.89309300   -2.59251800
 H                  3.17405600   14.06583500   -1.28254500
 C                  4.40834300   12.38884600   -0.80228600
 C                  4.61872800   11.02089200   -0.80572000
 C                  5.70444100   10.41117600   -0.18818600
 C                  6.61752400   11.24967000    0.44391600
 H                  7.47853800   10.80605900    0.93502900
 C                  6.44941300   12.63445200    0.48016000
 C                  5.33523900   13.18550500   -0.14536700
 H                  5.18366700   14.25941900   -0.12027900
 C                  1.76076700   12.43534700    0.34072900
 H                  2.59362900   11.88138300    0.77736200
 H                  1.86638300   13.48073000    0.65021800
 C                  0.47039500   11.86849400    0.85909200
 C                  0.05105500   10.60060500    0.44884000
 C                 -1.07267600   10.00653900    1.04743500
 C                 -1.76973700   10.72159300    2.01335500
 H                 -2.64489800   10.26347700    2.46797300
 C                 -1.39405000   12.00838100    2.40926500
 C                 -0.26454700   12.56295700    1.81947600
 H                  0.06579700   13.55523400    2.11518100
 C                  0.81079600   13.15268800   -1.77912100
 H                 -0.12008100   12.63734600   -1.53344200
 H                  0.77423500   14.13975400   -1.30612600
 C                  0.95275400   13.30204700   -3.26700500
 C                  1.25785000   12.18245500   -4.04236300
 C                  1.42096800   12.31413900   -5.43039900
 C                  1.19818200   13.55078600   -6.01358200
 H                  1.29879400   13.64786700   -7.09241000
 C                  0.84989400   14.67639900   -5.26275700
 C                  0.75249900   14.53475400   -3.88429400
 H                  0.50476600   15.39517400   -3.26820800
 O                  2.07626700    8.72734300   -2.36679300
 C                  1.90774000    8.01195900   -3.55291300
 C                  0.84500600    7.06805900   -2.98379000
 H                  2.81443900    7.47924100   -3.86930700
 H                  1.52462300    8.60393300   -4.39065100
 C                 -1.50991600    8.63862800    0.60854900
 H                 -0.67411600    7.93387200    0.60968700
 H                 -1.90290300    8.66402400   -0.41196000
 H                 -2.29325500    8.25186900    1.26405700
 C                  1.81140700   11.10515800   -6.23386200
 H                  1.16345100   10.26053200   -5.99898600
 H                  2.83393500   10.78973600   -5.99900800
 H                  1.75682600   11.30846000   -7.30555100
 C                  0.54244000   15.98921100   -5.93365900
 H                 -0.45604300   15.97442400   -6.38483700
 H                  1.25613100   16.21346900   -6.73263300
 H                  0.56643600   16.81545000   -5.21910400
 C                 -2.19170900   12.75999200    3.44373200
 H                 -1.74317100   13.73303000    3.65671400
 H                 -2.24949600   12.20341600    4.38425000
 H                 -3.21853600   12.93077800    3.10533500
 C                  5.86415900    8.91649700   -0.20478200
 H                  5.95472300    8.52668300   -1.22550600
 H                  5.01812800    8.41864800    0.27268600
 H                  6.76783400    8.62672800    0.33147600
 C                  7.44357300   13.50067800    1.20608600
 H                  8.46735300   13.26271300    0.90558500
 H                  7.37672700   13.34337200    2.28704800
 H                  7.26522100   14.55931700    1.00839800
 H                  1.25000800    6.57687800   -2.05657400
 C                 -0.51507300    7.70547900   -2.88361200
 H                 -0.51149100    8.79127100   -2.76881700
 H                 -1.13892900    7.23398600   -2.12307600
 O                 -1.06308600    7.42753300   -4.18025900
 C                 -0.65176200    6.16555900   -4.64065000
 O                 -1.23721400    5.66291500   -5.56370300
 O                  0.33573500    5.74474500   -3.92581900
 Al                -1.83582500    8.74917900   -5.51287500
 N                 -2.54560300   10.06487100   -6.96757900
 O                 -1.69086800   10.02265700   -4.29022100
 O                 -3.38519100    7.89112600   -5.40977800
 O                 -0.40094000    8.36790000   -6.49511000
 C                 -1.84409400   11.36861500   -6.80721400
 C                 -4.01367600   10.26161000   -6.80762000
 C                 -2.28754800    9.53107600   -8.32997500
 C                 -2.05613000   11.30968800   -4.30382200
 C                 -4.43094100    7.86436200   -6.23842400
 C                 -0.00126900    8.65209200   -7.73951200
 H                 -0.77365400   11.17223200   -6.90455100
 H                 -2.13120500   12.02824700   -7.63493900
 C                 -2.13536800   12.04106900   -5.49577400
 H                 -4.17914200   10.66194900   -5.80454100
 H                 -4.34861200   11.01974600   -7.52579500
 C                 -4.79891100    8.99355900   -6.98268000
 H                 -2.82886000    8.58376500   -8.40934900
 H                 -2.72825300   10.21751500   -9.06397100
 C                 -0.83989300    9.29585400   -8.65821600
 C                 -2.39650800   11.93365500   -3.09146800
 C                 -5.17835400    6.67857700   -6.36183200
 C                  1.30619600    8.29898300   -8.12815900
 C                 -2.47699600   13.39055700   -5.45836500
 C                 -5.88863300    8.93297600   -7.84850800
 C                 -0.35443800    9.63628100   -9.92057600
 C                 -2.71776400   13.28599700   -3.09046800
 C                 -2.39806200   11.11947800   -1.83295700
 C                 -6.26572800    6.65899000   -7.22886000
 C                 -4.77679900    5.47540100   -5.55608400
 C                  1.74724400    8.64035200   -9.40058900
 C                  2.20291100    7.58615200   -7.15574400
 C                 -2.74683800   14.04486900   -4.26151300
 H                 -2.52286000   13.94310000   -6.39364900
 C                 -6.64268400    7.77188900   -7.98522600
 H                 -6.14841100    9.81571000   -8.42797800
 C                  0.94136000    9.32410800  -10.31431600
 H                 -1.01632400   10.14955400  -10.61374400
 H                 -2.95083900   13.76372700   -2.14150600
 H                 -1.43905200   10.61957500   -1.68982400
 H                 -3.15643100   10.33055700   -1.87349500
 H                 -2.59679900   11.74130300   -0.95760300
 H                 -6.83356200    5.73661000   -7.32882500
 H                 -3.70183800    5.30537500   -5.62361500
 H                 -5.30676500    4.58027200   -5.89751500
 H                 -5.00417700    5.61925800   -4.49456800
 H                  2.75965000    8.36726300   -9.69014200
 H                  1.65100600    6.83780500   -6.57952000
 H                  2.63391500    8.28565900   -6.43324000
 H                  3.02744300    7.08973000   -7.67569000
 C                 -3.01592000   15.52621900   -4.22473500
 C                 -7.83788900    7.71721100   -8.90246200
 C                  1.46669400    9.70344800  -11.67512100
 H                 -3.39591300   15.88743600   -5.18396500
 H                 -2.09783800   16.08382200   -4.00527100
 H                 -3.74578500   15.78319400   -3.45205700
 H                 -7.78802400    8.49805500   -9.66547500
 H                 -8.77321400    7.85831800   -8.34947700
 H                 -7.90654300    6.75167100   -9.41136900
 H                  1.90962000    8.84234300  -12.18467300
 H                  2.24402900   10.47165700  -11.60405400
 H                  0.67005700   10.09636500  -12.31143500
 H                  3.89759800    9.31854900   -1.58843200
 





