%chk=Guess-Insertion.chk
%nprocshared=8
%mem=30GB
#p freq=noraman wb97xd/6-31G* nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 1.96255800   10.33517300    1.93794300
 N                  1.97725200   11.86018800    0.43771200
 O                  3.63441800   10.81650400    2.38808800
 O                  1.20079200    9.25807500    0.72705300
 O                  0.69515400   11.22694000    2.88507700
 C                  2.79652600   13.03228400    0.84068800
 H                  2.35695100   13.42857800    1.76074800
 H                  2.70110300   13.81225300    0.07165100
 C                  4.24375900   12.71064200    1.07622700
 C                  4.57290700   11.60207400    1.87086900
 C                  5.92903100   11.32832600    2.14888300
 C                  6.90564800   12.18347900    1.64542200
 H                  7.95038700   11.97258300    1.87258600
 C                  6.59534300   13.29628300    0.85529000
 C                  5.25156400   13.53465200    0.57452400
 H                  4.97370400   14.38816900   -0.04243000
 C                  2.53555600   11.28594300   -0.81541500
 H                  3.53599000   10.90976700   -0.57228900
 H                  2.66714000   12.09504100   -1.54829000
 C                  1.70290000   10.18657900   -1.41866500
 C                  1.11667500    9.21265600   -0.59370100
 C                  0.38453200    8.15919400   -1.18660600
 C                  0.26245400    8.11113100   -2.57053800
 H                 -0.30179800    7.29298700   -3.01723500
 C                  0.83334700    9.07827500   -3.40765800
 C                  1.54632300   10.11067800   -2.80488000
 H                  1.99814700   10.88348400   -3.42553700
 C                  0.57782100   12.30254200    0.21441600
 H                 -0.00890900   11.41749200   -0.04442000
 H                  0.55071000   12.97867000   -0.65142500
 C                 -0.02045000   12.98685400    1.41232700
 C                  0.06516300   12.40292800    2.68768900
 C                 -0.51764100   13.07356600    3.78428100
 C                 -1.16811900   14.28666600    3.57015900
 H                 -1.61352900   14.78983500    4.42729800
 C                 -1.25978600   14.88234700    2.31047900
 C                 -0.66499900   14.21389800    1.24514300
 H                 -0.70087100   14.65225200    0.24923800
 O                  2.12016400    8.85690800    3.13010000
 C                  2.19239900   10.00652100    5.25008300
 C                  1.79886800    8.73512600    4.49150500
 H                  2.99886600   10.52037500    4.72369200
 H                  1.35020400   10.68160000    5.35079500
 C                 -0.23877500    7.12033200   -0.29549200
 H                  0.51657800    6.63415200    0.33266500
 H                 -0.96899400    7.56785600    0.38960400
 H                 -0.74793300    6.34991700   -0.88366800
 C                 -0.41577800   12.51730400    5.17726700
 H                 -0.66765400   11.45373200    5.22054700
 H                  0.60462400   12.62934900    5.56350200
 H                 -1.08491800   13.05415400    5.85626000
 C                 -1.97321000   16.19772300    2.12490200
 H                 -3.05375100   16.09049700    2.28137000
 H                 -1.61810900   16.94931000    2.83952800
 H                 -1.82195800   16.59467100    1.11593700
 C                  0.67310100    8.99394800   -4.90556800
 H                  1.14726900    8.09173600   -5.31165200
 H                 -0.38412400    8.95785200   -5.19544800
 H                  1.12589400    9.85824400   -5.40248900
 C                  6.28628500   10.11352900    2.96159200
 H                  7.27469200   10.21881200    3.42123100
 H                  5.54557800    9.93112800    3.74461300
 H                  6.29908800    9.21222700    2.33602200
 C                  7.68502500   14.19468000    0.32356300
 H                  8.32460700   14.57131500    1.13078800
 H                  8.33762100   13.66362900   -0.38048600
 H                  7.26564500   15.05943200   -0.20075400
 H                  2.39544400    7.90411000    4.88393200
 C                  0.35259300    8.30332400    4.68738400
 H                  0.21700800    7.37011400    4.12085700
 H                  0.21292100    8.06976400    5.74942200
 O                 -0.63173200    9.24373900    4.31644400
 H                 -0.23081700    9.90536900    3.71963500
 O                  2.64416000    9.71826700    6.61005800
 C                  3.97386100    9.15597400    6.62630400
 H                  4.03753200    8.52698800    7.51606800
 H                  4.09189100    8.51551700    5.74916100
 Al                 2.01875700   11.14402800    7.90695900
 O                  3.22039200   10.38391100    9.19554800
 O                  2.86543900   12.28145500    6.87704600
 O                  0.39109900   10.51936500    7.75994200
 C                  3.25208200   10.44507200   10.60664400
 C                  2.99930600   13.61891200    6.92197400
 C                 -0.79512400   11.00116100    8.18749600
 C                  2.34949500   11.25813300   11.28065900
 C                  4.21491500    9.67743200   11.26620700
 C                  2.86135400   14.32286000    8.12324000
 C                  3.27439000   14.30208400    5.72555800
 C                 -0.92010400   12.29507400    8.71217700
 C                 -1.92814000   10.16958200    8.11750200
 C                  1.20944300   11.98303200   10.61671900
 C                  2.44827200   11.32154000   12.67276200
 C                  4.26791300    9.77159200   12.65454300
 C                  5.16808100    8.78431800   10.51837900
 C                  2.59323100   13.57883000    9.40365400
 C                  2.98672500   15.71321700    8.12339700
 C                  3.40715700   15.68718300    5.76870800
 C                  3.42307600   13.52588700    4.44718400
 C                  0.26512800   13.21726200    8.76265500
 C                 -2.16125600   12.74768000    9.16412400
 C                 -3.14939000   10.65935700    8.57206200
 C                 -1.81404600    8.79323800    7.52644600
 N                  1.50494200   12.55984100    9.28094300
 H                  0.37467300   11.28626300   10.49785600
 H                  0.86098700   12.78921600   11.27378500
 C                  3.40008500   10.59200100   13.37803200
 H                  1.75328600   11.96027500   13.21210400
 H                  5.01255000    9.18273800   13.18511200
 H                  4.65888300    8.20475700    9.74113900
 H                  5.97022700    9.36062800   10.04409000
 H                  5.63851600    8.07757900   11.20633600
 H                  3.49456800   13.05249800    9.73665200
 H                  2.31524700   14.28239500   10.19721200
 C                  3.26982800   16.41643200    6.95511800
 H                  2.86107400   16.25213400    9.06060800
 H                  3.61984500   16.21803100    4.84201100
 H                  4.20854300   12.76714200    4.53086600
 H                  2.50504200   12.98784200    4.18450100
 H                  3.68329300   14.18972700    3.61765500
 H                  0.49330700   13.59767800    7.76211100
 H                  0.04305400   14.08493600    9.39569700
 C                 -3.29624300   11.94618200    9.09920300
 H                 -2.23291900   13.75189800    9.57754000
 H                 -4.02088500   10.00880900    8.51587500
 H                 -1.66512700    8.86202100    6.44331500
 H                 -0.96026300    8.24781200    7.94179000
 H                 -2.72254700    8.21224100    7.71306800
 C                  3.49758900   10.67483400   14.87885500
 C                  3.43844600   17.91507100    6.96176300
 C                 -4.63821100   12.43535900    9.58327500
 H                  3.34651200    9.69102500   15.33732100
 H                  4.48766600   11.02807100   15.18872300
 H                  2.74984300   11.35955200   15.28933200
 H                  4.49516900   18.19637300    6.87103300
 H                  2.90825000   18.38116200    6.12376900
 H                  3.05834800   18.35474800    7.88936900
 H                 -5.36929800   12.46972900    8.76660500
 H                 -5.04961500   11.77304700   10.35413200
 H                 -4.56418200   13.44094100   10.00921300
 C                  5.05731500   10.19607600    6.60711900
 C                  6.31964600    9.89592500    7.27731200
 O                  5.37358200   10.80075600    7.88336300
 H                  5.04479000   10.91544400    5.79402700
 H                  6.44082500    8.94496700    7.79047800
 H                  7.22977500   10.38283800    6.94134400
 H                  4.16396600   10.43785100    8.82860400
 C                  3.63880400    7.90728500    2.64545900
 O                  3.73274000    8.04688100    1.46594100
 O                  4.07131900    7.41202200    3.64583800
 

 






