%chk=Scan17-Freq.chk
%nprocshared=8
%mem=20GB
#p opt=(ts,readfc,noeigentest) iop(1/8=1) freq=noraman wb97xd/6-31G* nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 1.81251700   10.55794300   -1.62345000
 N                  2.12415000   12.36423300   -0.74358700
 O                  3.69813200   10.16472300   -1.34402900
 O                  0.70812900    9.95063700   -0.41047700
 O                  1.42489600   11.21549600   -3.19172200
 C                  3.45201000   12.95382700   -1.08716600
 H                  3.52759900   12.98368600   -2.17902300
 H                  3.47463200   13.98885300   -0.72803200
 C                  4.61429300   12.19676100   -0.50572700
 C                  4.73371800   10.82434300   -0.65682200
 C                  5.79442500   10.07823800   -0.15212100
 C                  6.78609900   10.78487900    0.52573100
 H                  7.63059100   10.23204300    0.93010600
 C                  6.72095200   12.16844200    0.71122300
 C                  5.62299800   12.85564300    0.19674900
 H                  5.54059700   13.92963800    0.34099600
 C                  1.99943900   12.22284100    0.74306400
 H                  2.77224300   11.51934200    1.06938700
 H                  2.22510900   13.19313900    1.20075300
 C                  0.64407400   11.74086500    1.18092500
 C                  0.07488800   10.60845100    0.58373800
 C                 -1.17462600   10.13706800    1.02342700
 C                 -1.81880000   10.81694600    2.05385800
 H                 -2.78498800   10.44761100    2.39443100
 C                 -1.27467800   11.95457800    2.65923400
 C                 -0.04051300   12.40501100    2.20018600
 H                  0.41000400   13.29070700    2.64374900
 C                  1.05210200   13.29078100   -1.23295800
 H                  0.09516900   12.85085000   -0.93706200
 H                  1.15323200   14.23803700   -0.68992500
 C                  1.06769900   13.53731800   -2.71657500
 C                  1.21241700   12.47612800   -3.61635900
 C                  1.13821800   12.70591200   -5.00071500
 C                  0.89145500   13.99871500   -5.44747800
 H                  0.81175500   14.17284800   -6.51915300
 C                  0.74611400   15.07939200   -4.57032800
 C                  0.84454500   14.82677500   -3.20590800
 H                  0.73303000   15.64424800   -2.49594100
 O                  1.98485100    8.74304800   -2.37327900
 C                  2.04375300    8.38885600   -3.79520700
 C                  0.99891800    7.82002300   -2.95424600
 H                  2.92946400    7.81137200   -4.03925900
 H                  1.78484700    9.21521100   -4.44690800
 C                 -1.79588000    8.93457800    0.36971100
 H                 -1.08767600    8.10166200    0.30790400
 H                 -2.10812100    9.16544900   -0.65511400
 H                 -2.67875800    8.60126700    0.92334900
 C                  1.30469300   11.55249100   -5.94908600
 H                  0.57118300   10.76565400   -5.74402100
 H                  2.29863900   11.09940400   -5.84712400
 H                  1.18667900   11.87562900   -6.98779000
 C                  0.50346500   16.46900000   -5.10360700
 H                 -0.25172900   16.46119500   -5.89699500
 H                  1.41803100   16.89772800   -5.53262600
 H                  0.16014900   17.14660300   -4.31531500
 C                 -2.01434800   12.66891000    3.76260800
 H                 -1.41654300   13.48696000    4.17673900
 H                 -2.26391200   11.98565100    4.58266000
 H                 -2.95734200   13.09500500    3.39928800
 C                  5.85502200    8.58416700   -0.33159500
 H                  5.90451100    8.29723100   -1.39053500
 H                  4.98706200    8.08498800    0.11788100
 H                  6.74814900    8.18095200    0.15088300
 C                  7.81533300   12.88734000    1.45621400
 H                  8.76909600   12.80843500    0.92213600
 H                  7.96397400   12.45304200    2.45103100
 H                  7.58378200   13.94921100    1.57916000
 H                  1.14717500    6.81619300   -2.56589000
 C                 -0.42245800    8.31662000   -3.08579700
 H                 -0.42154900    9.40356000   -3.18530400
 H                 -0.99548000    8.03765400   -2.19636600
 O                 -0.97892900    7.73564400   -4.22777000
 C                 -1.40913600    5.94008100   -3.99466100
 O                 -1.12734700    5.41738900   -5.02681300
 O                 -1.79254700    5.84901600   -2.86711500
 Al                -1.74985900    8.70620700   -5.65230400
 N                 -2.64513400    9.83002900   -7.29121400
 O                 -1.78036900   10.21369700   -4.68679900
 O                 -3.20933300    7.67047300   -5.60103800
 O                 -0.34097900    8.37961300   -6.71238000
 C                 -2.05876300   11.19100500   -7.36782900
 C                 -4.10858900    9.94042900   -7.07066900
 C                 -2.38749800    9.11797500   -8.56809800
 C                 -2.11079800   11.48832300   -4.86857800
 C                 -4.32758400    7.55800800   -6.31175600
 C                  0.00735400    8.65323600   -7.96524200
 H                 -0.98400000   11.06666000   -7.52577000
 H                 -2.45762700   11.70065900   -8.25749900
 C                 -2.29474900   12.03629000   -6.14695900
 H                 -4.24926700   10.42576600   -6.09893800
 H                 -4.53592800   10.60817700   -7.83307200
 C                 -4.82305400    8.61889100   -7.08737100
 H                 -2.78984600    8.10510800   -8.45832100
 H                 -2.95412400    9.60626200   -9.37466800
 C                 -0.93054200    9.05263000   -8.93220900
 C                 -2.27796400   12.31059200   -3.73372300
 C                 -5.04100700    6.34011100   -6.27694100
 C                  1.36461500    8.52927100   -8.33727800
 C                 -2.62808100   13.38577800   -6.28262700
 C                 -5.98968200    8.45213900   -7.83541900
 C                 -0.51214800    9.35345300  -10.22954000
 C                 -2.58692400   13.65454800   -3.91093500
 C                 -2.09337600   11.71497900   -2.36554300
 C                 -6.20910300    6.21790100   -7.02442200
 C                 -4.51967800    5.20904100   -5.43422500
 C                  1.73975100    8.82086200   -9.64541700
 C                  2.37333500    8.08518400   -7.31378600
 C                 -2.77062700   14.22038100   -5.17752400
 H                 -2.76753000   13.79293500   -7.28321800
 C                 -6.70582400    7.25776400   -7.81851900
 H                 -6.34528200    9.28350600   -8.44266100
 C                  0.82175000    9.24276200  -10.61364600
 H                 -1.25469800    9.67860900  -10.95684800
 H                 -2.69227700   14.28484700   -3.02867800
 H                 -1.08936700   11.29407100   -2.25258600
 H                 -2.79625100   10.89161200   -2.19074600
 H                 -2.24369600   12.46550700   -1.58280000
 H                 -6.75001300    5.27252200   -6.99304700
 H                 -3.53191300    4.88110900   -5.77510400
 H                 -5.20167100    4.35288500   -5.46093100
 H                 -4.39368300    5.51877300   -4.39057300
 H                  2.78917500    8.71820900   -9.92016000
 H                  2.00970000    7.21936000   -6.75048700
 H                  2.57434600    8.87921000   -6.58482700
 H                  3.32393400    7.82149800   -7.78867000
 C                 -3.13250500   15.67739500   -5.32574400
 C                 -7.98333600    7.09151500   -8.60380900
 C                  1.27038300    9.55768200  -12.01961700
 H                 -2.94890000   16.03305100   -6.34498100
 H                 -2.55130100   16.30468000   -4.64046000
 H                 -4.19300400   15.85398700   -5.10354800
 H                 -8.08993800    7.87496000   -9.36152200
 H                 -8.86551100    7.14187400   -7.95249300
 H                 -8.01804100    6.12298700   -9.11582100
 H                  1.69949100    8.67588200  -12.51128900
 H                  2.04141900   10.33748400  -12.03036900
 H                  0.43445400    9.90623900  -12.63477700
 H                  3.91553300    9.23226500   -1.52863300
 
 
 






