%chk=Carbonate-Dimer.chk
%nprocshared=12
%mem=22GB
#p opt=(noeigentest) iop(1/8=1) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                -5.33007800    3.14686600    4.55581500
 O                 -3.98683200    2.72776600    3.33220200
 O                 -5.78783400    4.11500300    5.96286100
 N                 -6.16763700    4.53129400    3.25533500
 O                 -6.54964600    1.87698500    4.20190700
 O                 -5.39466100    0.45075300    2.44241300
 C                 -6.81593000    4.96396200    6.11386400
 C                 -7.09679900    5.89877600    5.12072600
 C                 -8.15377200    6.78898900    5.27661500
 C                 -8.95920800    6.75539200    6.41032400
 C                 -8.68674600    5.77998300    7.37371900
 C                 -7.63296700    4.87985200    7.24930200
 C                 -6.24251100    5.88338800    3.89507500
 H                 -8.35466400    7.51322000    4.49142500
 H                 -9.32024100    5.71864400    8.25549600
 C                 -7.84030200    2.24109600    4.49359300
 C                 -8.60964100    1.48986200    5.37948400
 C                 -9.89494100    1.94843300    5.67677600
 C                -10.42136800    3.10701200    5.11639900
 C                 -9.63384600    3.81382200    4.20747500
 C                 -8.35356200    3.39086800    3.88494100
 H                -10.49752900    1.37790600    6.37881900
 H                -10.02333000    4.71666400    3.74607400
 C                 -7.53421600    4.09083700    2.83173200
 C                 -3.28342600    3.93722200    3.17355800
 C                 -2.07023300    4.17545300    3.81860400
 C                 -1.49660800    5.43593900    3.64296500
 C                 -2.06889600    6.42823200    2.85596800
 C                 -3.29735000    6.16184300    2.25540600
 C                 -3.91844200    4.93310700    2.43308400
 H                 -0.54681900    5.63376600    4.13189800
 H                 -3.79932000    6.93261200    1.67854000
 C                 -5.33126600    4.66492700    2.02107900
 C                 -6.01899900   -0.71038100    1.99642800
 C                 -7.38919000   -0.70940600    1.71819200
 C                 -7.97563300   -1.91351600    1.33770000
 C                 -7.24385600   -3.08994900    1.19507600
 C                 -5.86928000   -3.01842500    1.38424400
 C                 -5.23984500   -1.83753900    1.76953700
 H                 -1.53229600   -1.78896300    0.47040300
 H                 -9.04049700   -1.92020900    1.12394600
 H                 -5.25470500   -3.89306600    1.19536300
 H                 -4.79884000   -0.69742500   -0.22894800
 Al                -3.56161200    1.23829600    2.05665800
 H                 -1.34032200   -1.01597300    2.04668300
 O                 -1.92762200    1.87044900    1.78336600
 N                 -3.16481500   -0.60915400    1.08613700
 O                 -4.36707100    1.98234300    0.58910400
 H                 -7.38645600    3.40251900    1.99817300
 C                 -1.03706800    1.56102500    0.84968300
 C                 -0.86409100    0.23631600    0.41585300
 C                  0.07630000   -0.06433500   -0.56183300
 C                  0.85315100    0.92676100   -1.15862700
 C                  0.63598100    2.24182600   -0.75169300
 C                 -0.29324700    2.57947100    0.22974900
 C                 -1.68497600   -0.85819700    1.02816500
 H                  0.18688400   -1.09769300   -0.88302000
 H                  1.19938400    3.04220800   -1.22653500
 C                 -3.85477400    1.88387000   -0.64117800
 C                 -3.75276500    3.00412300   -1.48392500
 C                 -3.18570500    2.85236700   -2.74879800
 C                 -2.72389200    1.62705300   -3.22364000
 C                 -2.87606900    0.52040200   -2.39233100
 C                 -3.43762600    0.63393400   -1.12783200
 H                 -3.08824800    3.73339900   -3.37910700
 H                 -2.53694000   -0.45548800   -2.73200900
 C                 -3.71620000   -0.59442700   -0.31026800
 H                 -3.34255300   -1.48506000   -0.82695700
 H                 -5.22071300    6.17730300    4.14590500
 H                 -6.62247600    6.59116700    3.15095700
 H                 -8.07702900    4.95847600    2.44573300
 C                 -3.73988900   -1.79080700    1.80303800
 H                 -3.36218100   -2.69745400    1.32048900
 H                 -3.36234800   -1.79110300    2.82504900
 H                 -5.39031500    3.72640600    1.47020700
 H                 -5.72897100    5.47262400    1.39975700
 O                 -4.23993100    2.20514100    5.91808900
 C                 -4.73708400    1.39722500    7.00438800
 C                 -3.72626000    0.85958500    6.09670500
 H                 -4.43581900    1.75788900    7.97994500
 O                 -3.03382500    0.13325700    3.97070000
 C                 -1.39352700    3.14881500    4.67081000
 H                 -1.97029400    2.96131800    5.58102600
 H                 -1.27937400    2.20318800    4.13852400
 H                 -0.40413900    3.50284700    4.96942900
 C                 -7.37249500    3.80680600    8.26767500
 H                 -8.11878900    3.83628100    9.06458600
 H                 -7.41108300    2.81691200    7.80020200
 H                 -6.38024800    3.91259800    8.71558100
 C                -10.10682700    7.71721700    6.58453400
 H                -10.13071700    8.12840200    7.59723000
 H                -10.02925800    8.55114300    5.88309300
 H                -11.07005900    7.22702300    6.40939300
 C                 -8.09278700    0.21690000    5.99197400
 H                 -7.18266600   -0.12547800    5.49884200
 H                 -7.87700000    0.34982100    7.05700500
 H                 -8.84273900   -0.57450000    5.91389200
 C                -11.81076800    3.57612300    5.45872100
 H                -12.51969600    3.32020600    4.66423400
 H                -12.16633300    3.11418800    6.38236200
 H                -11.84115200    4.66098800    5.58682400
 C                 -8.22373400    0.53903400    1.77656600
 H                 -8.66402900    0.68889600    2.76452800
 H                 -7.63740800    1.42494400    1.52471000
 H                 -9.04373600    0.46843300    1.06016600
 C                 -7.91196700   -4.38678900    0.83136300
 H                 -8.48980400   -4.30627000   -0.09384900
 H                 -7.16878900   -5.17569300    0.68858900
 H                 -8.59205600   -4.71042500    1.62702400
 C                 -4.25695000    4.34153300   -1.02630500
 H                 -5.30489600    4.27384000   -0.72243300
 H                 -3.69555400    4.71432900   -0.16469500
 H                 -4.18460400    5.07983500   -1.82853800
 C                 -2.08992600    1.48358800   -4.58448900
 H                 -2.52305100    0.63959800   -5.12878300
 H                 -2.24443700    2.38557400   -5.18266100
 H                 -1.01100300    1.31318200   -4.51329600
 C                 -0.53186700    4.00743600    0.62371400
 H                 -1.59887900    4.19974200    0.76345400
 H                 -0.04673700    4.23944900    1.57666800
 H                 -0.14214600    4.69578100   -0.13059800
 C                  1.89066100    0.58655200   -2.19758500
 H                  2.16550900    1.46581000   -2.78585200
 H                  2.80676100    0.20083400   -1.73645700
 H                  1.52891600   -0.18050000   -2.88829800
 C                 -1.39975000    7.76636700    2.70300100
 H                 -1.17627800    8.18726400    3.68787900
 H                 -0.44226600    7.68260500    2.18017600
 H                 -2.02353700    8.47821900    2.16134300
 H                 -5.76952700    1.08961000    6.89512700
 H                 -2.69520300    0.88036500    6.44400400
 C                 -4.02832400   -0.08524100    4.98381600
 H                 -5.01202900    0.10345400    4.57267100
 H                 -3.96674800   -1.11341700    5.32921200
 H                 -6.01809600    1.00278900    3.00373500
 C                 -1.80828000   -0.54370700    4.26166000
 O                 -1.93413600   -1.64711800    4.79230400
 O                 -0.80727200    0.07071500    3.91075300
 
 






