%chk=FC-2Al.chk
%nprocshared=8
%mem=22GB
#p opt=(noeigentest) iop(1/8=1) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

IC

0 1
 Al                 1.93919700   10.32384700   -1.67529800
 N                  2.02727300   12.32696200   -0.97732800
 O                  3.87744000   10.35016500   -1.23748000
 O                  0.78821100    9.88095400   -0.39925900
 O                  1.41600100   10.85664400   -3.27662600
 C                  3.27922500   13.03850700   -1.36965800
 H                  3.39607000   12.92280000   -2.45183500
 H                  3.15227800   14.10891700   -1.16586100
 C                  4.51604300   12.54196800   -0.67085500
 C                  4.81277100   11.18754500   -0.64590100
 C                  5.95204500   10.66093500   -0.04327000
 C                  6.83040900   11.57345400    0.53995300
 H                  7.73174000   11.19282700    1.01531300
 C                  6.58178500   12.94899700    0.54435500
 C                  5.41262000   13.41502300   -0.05676400
 H                  5.19221800   14.47971800   -0.05637400
 C                  1.89413600   12.35112600    0.50929700
 H                  2.72458800   11.76789300    0.92074800
 H                  2.02322400   13.38572800    0.85321300
 C                  0.59100700   11.79865100    1.01505200
 C                  0.13167000   10.55697900    0.55181600
 C                 -1.04068400   10.00303200    1.10340300
 C                 -1.72969800   10.72010900    2.07821300
 H                 -2.63651200   10.28615100    2.49775200
 C                 -1.30418300   11.97354900    2.53098500
 C                 -0.13600200   12.49484800    1.98173700
 H                  0.23005900   13.46452700    2.31490200
 C                  0.86745300   13.05937200   -1.57400800
 H                 -0.03739000   12.51742300   -1.28563300
 H                  0.80920100   14.05216600   -1.10869500
 C                  0.93882300   13.18675700   -3.06786600
 C                  1.20016700   12.04965100   -3.84121700
 C                  1.25669100   12.15841700   -5.24288600
 C                  0.99641100   13.39172600   -5.83137700
 H                  1.01984900   13.46541700   -6.91810700
 C                  0.69809900   14.53381600   -5.07835800
 C                  0.69320900   14.41075000   -3.69202100
 H                  0.47932800   15.28197800   -3.07490600
 O                  2.45715800    8.66214800   -2.13444300
 C                  2.00813100    7.86986900   -3.18021900
 C                  0.72124300    7.17705100   -2.75815000
 H                  2.74908600    7.09431300   -3.41644300
 H                  1.82306500    8.45184600   -4.09612600
 C                 -1.54389500    8.67228800    0.61516300
 H                 -0.72452700    7.96304400    0.46429200
 H                 -2.06182700    8.78094400   -0.34494000
 H                 -2.25516400    8.23990900    1.32617000
 C                  1.56744700   10.93629500   -6.05726000
 H                  0.85175900   10.13636100   -5.84388000
 H                  2.56323700   10.54005200   -5.82256300
 H                  1.53305000   11.15610100   -7.12851500
 C                  0.35191600   15.83509700   -5.75595900
 H                 -0.63534800   15.77733400   -6.23254900
 H                  1.07485000   16.08849400   -6.53995700
 H                  0.32534300   16.66250200   -5.03967100
 C                 -2.08530900   12.72334000    3.58141000
 H                 -1.63045700   13.69613700    3.79399300
 H                 -2.13095700   12.16369000    4.52359700
 H                 -3.11954200   12.89961100    3.26253200
 C                  6.20335900    9.17703800   -0.02707400
 H                  6.32727600    8.77093300   -1.03949600
 H                  5.37837300    8.63504800    0.45163300
 H                  7.11691600    8.94897800    0.52737300
 C                  7.56117100   13.89987900    1.18386400
 H                  8.50631700   13.92347400    0.62878100
 H                  7.79501300   13.59738800    2.21055700
 H                  7.16385500   14.91869500    1.21286200
 H                  0.81670800    6.71844800   -1.77655700
 C                 -0.56672500    7.95548400   -2.95795300
 H                 -0.40777400    9.02701400   -3.05241400
 H                 -1.32085800    7.73777000   -2.20205400
 O                 -1.07145800    7.48875200   -4.23131800
 C                 -0.54886400    6.25665000   -4.54339200
 O                 -0.98592700    5.55911400   -5.41391800
 O                  0.45638400    5.94815700   -3.74625800
 Al                -1.97846400    8.78710600   -5.76229400
 N                 -2.68475500   10.06812800   -7.20806300
 O                 -1.73621500   10.03851100   -4.54661700
 O                 -3.46291500    7.85499600   -5.58743000
 O                 -0.62484300    8.19882800   -6.72240000
 C                 -2.04858300   11.40617600   -7.03050100
 C                 -4.16675200   10.18432500   -7.06718500
 C                 -2.35680900    9.54757900   -8.56568100
 C                 -2.15428500   11.31223900   -4.52186800
 C                 -4.48057200    7.76707600   -6.45709900
 C                 -0.12057300    8.61138500   -7.89072400
 H                 -0.96949200   11.25955300   -7.14997700
 H                 -2.38223300   12.06142700   -7.84552000
 C                 -2.33953900   12.04356900   -5.70122700
 H                 -4.35829800   10.59850100   -6.07192000
 H                 -4.53209900   10.91207500   -7.80327400
 C                 -4.87760600    8.86859500   -7.23051600
 H                 -2.88267200    8.59315600   -8.67460900
 H                 -2.77372700   10.23693900   -9.31197700
 C                 -0.88679100    9.34049000   -8.80986600
 C                 -2.40964500   11.91620600   -3.27697800
 C                 -5.16452200    6.54251900   -6.58042900
 C                  1.21785100    8.29130700   -8.18899500
 C                 -2.73740000   13.37974800   -5.63037700
 C                 -5.93654600    8.73625500   -8.13104100
 C                 -0.29508100    9.79795100   -9.98937100
 C                 -2.78684400   13.25456100   -3.24496900
 C                 -2.25087700   11.10275900   -2.02444200
 C                 -6.22236500    6.45374100   -7.48062200
 C                 -4.73208600    5.37379000   -5.73794600
 C                  1.76725700    8.75312600   -9.38073900
 C                  2.00821600    7.47240300   -7.20635600
 C                 -2.94515700   14.01464000   -4.40952100
 H                 -2.87160000   13.93548700   -6.55688100
 C                 -6.62797300    7.53591700   -8.27067700
 H                 -6.22272100    9.59626900   -8.73430200
 C                  1.03426000    9.51966000  -10.29520100
 H                 -0.89786100   10.37709800  -10.68679600
 H                 -2.95951700   13.72458200   -2.27761100
 H                 -1.22198300   10.74752500   -1.90576200
 H                 -2.88626400   10.20949100   -2.05291100
 H                 -2.51437400   11.68449600   -1.13575100
 H                 -6.74449000    5.50291400   -7.57981800
 H                 -4.94274400    5.55169700   -4.67597900
 H                 -3.65201400    5.21229900   -5.81709500
 H                 -5.25233200    4.45834800   -6.03677500
 H                  2.80572000    8.51234900   -9.60452900
 H                  1.51276000    6.51728300   -6.99779800
 H                  2.10329900    7.98901600   -6.24449700
 H                  3.01437300    7.26715900   -7.58512000
 C                 -3.30753400   15.47634100   -4.33213000
 C                 -7.76572400    7.38947200   -9.25068500
 C                  1.67388700   10.02640200  -11.56424000
 H                 -2.50747700   16.05661700   -3.85556000
 H                 -4.21697200   15.63699000   -3.74117400
 H                 -3.47529800   15.89958100   -5.32766600
 H                 -7.97887200    8.33693400   -9.75589400
 H                 -8.68541100    7.06080400   -8.75224300
 H                 -7.53510000    6.64462800  -10.02194900
 H                  2.18030800    9.21934300  -12.10647600
 H                  2.42810500   10.79481100  -11.35384200
 H                  0.93038600   10.46646600  -12.23672400
 H                  4.17429600    9.44480500   -1.45417000
 

   
     


