%chk=TS-B97D3.chk
%nprocshared=12
%mem=22GB
#p opt=(modredundant,noeigentest) iop(1/8=1) freq=noraman b97d3/6-311G** nosymm scrf=(smd,solvent=butanone)

IC

0 1
 Al                 1.93825100   10.62466000    1.95355000
 N                  1.27694500   11.80549700    0.33994800
 O                  3.68201200   10.87897800    1.54406000
 O                  1.22116500    9.16517100    1.23665700
 O                  1.46907600   11.88699600    3.11709600
 C                  2.32205900   12.81343200    0.00732200
 H                  2.50554600   13.40567500    0.90672200
 H                  1.93285300   13.49081100   -0.76140800
 C                  3.60227200   12.17867500   -0.45745800
 C                  4.22132000   11.22253800    0.35006700
 C                  5.42010400   10.62031600   -0.05569200
 C                  5.97239000   10.99810500   -1.27490400
 H                  6.89999300   10.52902700   -1.59350500
 C                  5.37197800   11.94820200   -2.10420100
 C                  4.18004400   12.52385300   -1.67738200
 H                  3.68029800   13.25700200   -2.30470900
 C                  1.00451800   10.98184300   -0.87145000
 H                  1.94951100   10.51769800   -1.16340400
 H                  0.69515200   11.64911700   -1.68478100
 C                 -0.02167300    9.91359800   -0.64449100
 C                  0.17690300    9.02258000    0.41589600
 C                 -0.72253300    7.95918200    0.60747400
 C                 -1.80506900    7.83786100   -0.25803900
 H                 -2.50502300    7.01989000   -0.10292800
 C                 -2.03256200    8.73115500   -1.30861000
 C                 -1.12271400    9.76862100   -1.48448300
 H                 -1.26587700   10.48287800   -2.29142900
 C                  0.01527700   12.49100000    0.74143700
 H                 -0.69464800   11.70894400    1.02882400
 H                 -0.40042900   13.00123100   -0.13537500
 C                  0.19060300   13.46829500    1.86692500
 C                  0.90506000   13.08817700    3.00972500
 C                  1.04766700   14.00541300    4.06919900
 C                  0.46560600   15.26198100    3.95732800
 H                  0.58130600   15.96364000    4.78028300
 C                 -0.25315900   15.65724800    2.82560000
 C                 -0.37252700   14.74119100    1.78767800
 H                 -0.91418700   15.01705200    0.88646900
 O                  5.18185700   10.46824300    5.51492200
 C                  3.79809500   10.39105100    5.94750900
 C                  4.04165900    9.14456200    5.25520000
 H                  3.71166100   10.37218600    7.02724800
 H                  3.15356200   11.11506400    5.45542000
 C                 -0.49142100    6.99498700    1.73603000
 H                  0.46422800    6.47385100    1.61656900
 H                 -0.44056700    7.52525700    2.69050500
 H                 -1.28591600    6.24645600    1.78097900
 C                  1.82978100   13.60280100    5.28617400
 H                  1.40826100   12.70498500    5.74804300
 H                  2.86665500   13.36685700    5.02578600
 H                  1.83860800   14.40184300    6.03057500
 C                 -0.86423400   17.03246600    2.74008000
 H                 -1.60787100   17.18862100    3.52820200
 H                 -0.10571500   17.81391000    2.85133500
 H                 -1.36112900   17.18355100    1.77882300
 C                 -3.20860800    8.55195200   -2.23421000
 H                 -3.01939200    7.76050300   -2.96762600
 H                 -4.11134900    8.27368500   -1.68306400
 H                 -3.42036900    9.47017900   -2.78751600
 C                  6.06972300    9.59395800    0.82853400
 H                  6.37230500   10.03273300    1.78493700
 H                  5.37922600    8.77528600    1.05270400
 H                  6.95898400    9.17484600    0.35397400
 C                  6.00677500   12.33141200   -3.41570100
 H                  6.94750800   12.86865300   -3.25714400
 H                  6.23710900   11.44700400   -4.01708300
 H                  5.34878800   12.97635200   -4.00249800
 H                  4.51468800    8.34498500    5.80840100
 C                  3.74262200    8.94307800    3.80207000
 H                  4.48194400    9.41496700    3.15830000
 H                  3.74467800    7.87322400    3.58941000
 O                  2.47880100    9.50485800    3.51365000
 C                  1.41663800    9.00012800    4.46348800
 O                  1.92857500    8.36646000    5.38978100
 O                  0.30116300    9.32442900    4.13885300
 H                  5.20774700   11.07278900    4.69942600
 O                  5.12086800   12.00200300    3.48333300
 H                  4.55743700   11.64811200    2.75520000
 H                  4.84535100   12.91150700    3.63017000
   
 B 73 72 F   


