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

IC

0 1
 Al                -5.71864500    2.34924500    4.14704100
 O                 -4.02607200    2.59791900    3.23043900
 O                 -5.15739900    3.37708800    5.60057000
 N                 -6.30430400    4.20957900    3.10600800
 O                 -7.48610900    2.00235400    4.49389100
 O                 -5.64132800    1.04732300    2.53718200
 C                 -6.03465600    4.14747900    6.23531500
 C                 -6.93604900    4.96774800    5.50435700
 C                 -8.00390600    5.61159400    6.13165900
 C                 -8.13172900    5.51790800    7.51489400
 C                 -7.16822600    4.87827200    8.29193000
 C                 -6.12013500    4.22901600    7.64027000
 C                 -6.55463000    5.32929700    4.09262300
 H                 -8.71901600    6.18699600    5.55110200
 H                 -7.22837200    4.87717600    9.37436000
 C                 -8.59887800    2.70026800    4.30775400
 C                 -9.72912000    2.51150100    5.13114900
 C                -10.89384900    3.26346700    5.01249400
 C                -10.95403600    4.23028300    4.01303600
 C                 -9.88686700    4.43525600    3.14509100
 C                 -8.72358900    3.67255900    3.28274300
 H                -11.72441200    3.10118300    5.68973500
 H                 -9.95586700    5.19000500    2.36652100
 C                 -7.56750000    3.91081200    2.35274400
 C                 -3.35013400    3.79104500    3.33367300
 C                 -2.10772100    3.89122200    3.95034600
 C                 -1.41728600    5.10136400    3.97891500
 C                 -2.01164100    6.20699900    3.37103900
 C                 -3.26277000    6.13713900    2.75826200
 C                 -3.93725200    4.91448000    2.74293000
 H                 -0.44675600    5.17553600    4.45527400
 H                 -3.69702300    7.01921600    2.29788300
 C                 -5.29400500    4.72694700    2.11394900
 C                 -6.10861500   -0.21366700    2.33001900
 C                 -7.44864200   -0.51964600    2.02582400
 C                 -7.89570600   -1.83682400    1.89610800
 C                 -6.98018700   -2.87435600    2.02301500
 C                 -5.62870400   -2.61662700    2.22807600
 C                 -5.19471900   -1.29509000    2.37372000
 H                 -1.24338600   -1.01175200    1.70087000
 H                 -8.94053300   -2.03370700    1.68486200
 H                 -4.91608900   -3.43528400    2.26515000
 H                 -4.47868600   -1.13343700    0.11137800
 Al                -4.05848900    1.65432700    1.60113900
 H                 -1.57817400    0.45057900    2.66317000
 O                 -2.55961100    2.57314000    1.07534000
 N                 -3.17226000   -0.15012100    1.43189000
 O                 -4.98950900    1.64851400    0.03394900
 H                 -7.36445000    3.03862900    1.72281300
 C                 -1.50919700    2.13364400    0.40277000
 C                 -0.99583600    0.83383000    0.63195000
 C                  0.08347200    0.33789300   -0.10302600
 C                  0.66199300    1.14016600   -1.08177100
 C                  0.19185400    2.42672300   -1.34221100
 C                 -0.87978100    2.90716300   -0.59439500
 C                 -1.68051100   -0.00470800    1.66961900
 H                  0.45905400   -0.66686500    0.07113900
 H                  0.63472100    3.03636400   -2.12141000
 C                 -4.23497000    1.40684200   -1.04858200
 C                 -4.17874000    2.29924800   -2.13316700
 C                 -3.32404400    2.10465700   -3.21431300
 C                 -2.50891000    0.97420800   -3.21121200
 C                 -2.53974000    0.04740000   -2.17411600
 C                 -3.39648500    0.26254200   -1.09038500
 H                 -3.27385000    2.83247100   -4.01581500
 H                 -1.87151700   -0.80751000   -2.19203300
 C                 -3.46414200   -0.72949300    0.05165200
 H                 -2.76782900   -1.56036100   -0.11682600
 H                 -5.60871800    5.87496200    4.16535500
 H                 -7.30062100    6.00849100    3.66035000
 H                 -7.79817000    4.75975200    1.69296600
 C                 -3.72060400   -1.02816700    2.52835900
 H                 -3.17034100   -1.97809500    2.53194500
 H                 -3.50522200   -0.50128500    3.46553400
 H                 -5.25629400    4.02704900    1.26817300
 H                 -5.65752100    5.67892400    1.70250000
 O                 -5.08138900    0.72863800    5.16798900
 C                 -5.13673900    0.32028400    6.58895000
 C                 -1.26017836    7.55114039    3.38474416
 H                 -1.35953710    8.00550020    4.34837532
 H                 -0.22454814    7.38293344    3.17480023
 H                 -1.67432996    8.19890357    2.64057932
 C                 -1.42765281    4.31676124   -0.88503099
 H                 -0.89671092    5.03441213   -0.29513446
 H                 -1.29855568    4.54260195   -1.92292786
 H                 -2.46835588    4.35266540   -0.63896595
 C                 -1.47801124    2.63946014    4.58921835
 H                 -0.50829682    2.47371564    4.16840641
 H                 -1.38833503    2.78487699    5.64549109
 H                 -2.09987650    1.79005750    4.39764916
 C                  1.83408274    0.58626338   -1.91303362
 H                  2.00864217    1.22518014   -2.75339924
 H                  2.71442521    0.54668727   -1.30613094
 H                  1.59355450   -0.39793157   -2.25713602
 C                 -1.51515309    0.76958325   -4.36973516
 H                 -2.05563637    0.60178068   -5.27782112
 H                 -0.90450639    1.64200014   -4.47413522
 H                 -0.89484931   -0.07720539   -4.16219669
 C                 -5.04791160    3.56949008   -2.08192446
 H                 -6.05020995    3.30535773   -1.81634561
 H                 -4.65139326    4.24376891   -1.35184140
 H                 -5.04603626    4.04191403   -3.04198284
 C                 -8.49477893    0.58280851    1.77724487
 H                 -9.13934400    0.66115347    2.62771412
 H                 -7.99770963    1.51706522    1.61917365
 H                 -9.07414425    0.33619760    0.91213280
 C                 -7.46596940   -4.33122518    1.90835183
 H                 -7.48096419   -4.62221143    0.87878776
 H                 -6.80249966   -4.97214295    2.45050708
 H                 -8.45196839   -4.41156101    2.31609212
 C                 -9.68356436    1.43770622    6.23409481
 H                 -9.51810253    0.47797074    5.79089036
 H                 -8.88756673    1.65851660    6.91419080
 H                -10.61337157    1.43055346    6.76353544
 C                -12.22218908    5.09304813    3.87510814
 H                -12.78172283    4.77083703    3.02187782
 H                -12.82194335    4.98879812    4.75506652
 H                -11.94402001    6.11896273    3.75254713
 C                 -9.34484976    6.16757942    8.20617185
 H                -10.01551736    5.40415375    8.54126320
 H                 -9.01175640    6.74287298    9.04461454
 H                 -9.85015778    6.80710645    7.51294102
 C                 -4.98352664    3.63353840    8.49181440
 H                 -4.45735585    4.42299671    8.98658695
 H                 -5.39548334    2.96765898    9.22105803
 H                 -4.30801965    3.09621874    7.85945541
 H                 -6.09301908    0.57452139    6.99612534
 C                 -4.92180758   -1.20097752    6.69462813
 C                 -6.02930576   -1.93142835    5.91265027
 H                 -6.72625101   -1.21592462    5.52895543
 H                 -5.59332770   -2.47542762    5.10093116
 O                 -5.83683315   -2.22909726    7.29801936
 H                 -4.36982422    0.82770013    7.13600630
 H                 -3.95897735   -1.55951360    6.39578062
 H                 -4.64699629    0.08052564    4.60865605
 

 

   
     


