%chk=NMR-Rot4.chk
%nprocshared=8
%mem=22GB
#p NMR=(GIAO) b3lyp/cc-pvtz nosymm scrf=(smd,solvent=chloroform)

IC

0 1
 Al                 2.58600000   11.02442400    1.61771500
 N                  1.76479600   12.08243500    0.02229700
 O                  4.24096200   11.10070400    0.98214900
 O                  1.62213000    9.56534900    1.28327300
 O                  2.09876100   12.23183200    2.81367800
 C                  2.76135100   13.08492200   -0.47349100
 H                  2.94938600   13.76899400    0.35479000
 H                  2.29861900   13.66901000   -1.27401800
 C                  4.05983400   12.49803400   -0.95572600
 C                  4.74726400   11.55838200   -0.17360600
 C                  6.00113000   11.08036800   -0.60650600
 C                  6.52505400   11.55429900   -1.80354400
 H                  7.49057400   11.18105400   -2.12821300
 C                  5.85441300   12.48466400   -2.60187900
 C                  4.61818100   12.93807800   -2.15669900
 H                  4.06939400   13.65980600   -2.75149000
 C                  1.41035000   11.14509500   -1.09002800
 H                  2.34505100   10.68805000   -1.41788000
 H                  1.02598600   11.73050500   -1.93023700
 C                  0.41989400   10.07473200   -0.72064500
 C                  0.60582600    9.31481400    0.44183300
 C                 -0.28505800    8.26444000    0.73809300
 C                 -1.33473900    8.00868900   -0.13715700
 H                 -2.01773200    7.19942100    0.09800800
 C                 -1.54545600    8.75845600   -1.29749700
 C                 -0.65446400    9.79185200   -1.56521400
 H                 -0.78900800   10.39481900   -2.45639700
 C                  0.52967900   12.79352200    0.48583300
 H                 -0.16490500   12.02023800    0.81754500
 H                  0.07100500   13.29061800   -0.37374900
 C                  0.75920800   13.79077600    1.58810900
 C                  1.51867400   13.43665100    2.71245900
 C                  1.67587000   14.36279300    3.76390700
 C                  1.06795900   15.60835300    3.65664600
 H                  1.19325600   16.31415400    4.47085100
 C                  0.31112800   15.98443600    2.54334100
 C                  0.17406600   15.05597600    1.51814800
 H                 -0.40414700   15.31443200    0.63798000
 O                  3.41408023   11.28264049    5.79881189
 C                  2.98966895    9.93592523    6.06726286
 C                  4.25002102   10.20386317    5.37434378
 H                  3.01145241    9.64361247    7.11168499
 H                  2.11515676    9.61813622    5.51175578
 C                 -0.08435400    7.44587900    1.98230100
 H                  0.87638100    6.92457500    1.96638500
 H                 -0.08790800    8.07110200    2.87802400
 H                 -0.86956800    6.69762800    2.08666400
 C                  2.49005000   13.98993500    4.97065800
 H                  2.12882600   13.06768700    5.42918900
 H                  3.53618800   13.81352800    4.70782400
 H                  2.45983600   14.78172000    5.71912900
 C                 -0.32084300   17.35047200    2.46192200
 H                 -0.99779900   17.53190800    3.30037100
 H                  0.43104800   18.14368100    2.48369300
 H                 -0.89538500   17.46628700    1.54251900
 C                 -2.69569200    8.44883100   -2.22092000
 H                 -2.57562200    7.47371400   -2.70072900
 H                 -3.64643400    8.42366300   -1.68350600
 H                 -2.78104600    9.19456000   -3.01160800
 C                  6.74508500   10.07566800    0.22798500
 H                  6.96914300   10.46935800    1.22207600
 H                  6.15841100    9.16599700    0.37621900
 H                  7.68649700    9.79870000   -0.24611000
 C                  6.45638000   12.97283800   -3.89439900
 H                  7.39810500   13.50163000   -3.72518300
 H                  6.67434400   12.14612000   -4.57504000
 H                  5.78300700   13.65776100   -4.41014300
 H                  5.17177006   10.10793331    5.94325935
 C                  4.46988700   10.01739600    3.89770300
 H                  4.97973155   10.88582667    3.48703257
 H                  5.09923699    9.14152718    3.73443441
 O                  3.24804500    9.88518300    3.15087000
 H                  3.06068600    8.95909000    2.94750600
   
     


