%chk=TS-Guess2.chk
%nprocshared=12
%mem=20GB
#p opt=(ts,readfc,noeigentest) iop(1/8=1) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

IC

0 1
 Al                 2.39279400   10.93267400    1.48870700
 N                  1.67193900   12.00486800   -0.00409000
 O                  4.06733100   10.92196800    0.98211000
 O                  1.34229100    9.47323300    1.28011900
 O                  1.84677800   11.94369300    2.81834800
 C                  2.69260100   13.01693600   -0.41624800
 H                  2.87514600   13.65808400    0.45067700
 H                  2.25514100   13.64162900   -1.20131500
 C                  3.98540200   12.41171900   -0.89111900
 C                  4.61986300   11.41517800   -0.14169400
 C                  5.85832400   10.90290200   -0.56028800
 C                  6.42555200   11.39957800   -1.72759700
 H                  7.38346100   10.99962900   -2.05131300
 C                  5.80524500   12.38506900   -2.50042500
 C                  4.58134200   12.87611400   -2.06299100
 H                  4.07126600   13.64296500   -2.63964400
 C                  1.38602500   11.09098900   -1.14357000
 H                  2.33077000   10.61340900   -1.41953800
 H                  1.06571100   11.69442500   -1.99837700
 C                  0.35242400   10.03929800   -0.84518100
 C                  0.39501800    9.25035300    0.31068000
 C                 -0.53984200    8.21878500    0.48555300
 C                 -1.50803900    8.02217800   -0.49477400
 H                 -2.22837600    7.22153800   -0.35092100
 C                 -1.58844300    8.80900300   -1.64110500
 C                 -0.64224900    9.81267300   -1.79488400
 H                 -0.66517400   10.44099900   -2.68042700
 C                  0.42336800   12.69345700    0.44420100
 H                 -0.29070600   11.91309000    0.72183700
 H                  0.00406200   13.23580600   -0.40899400
 C                  0.64605700   13.62636600    1.60426500
 C                  1.33354000   13.18744800    2.74495700
 C                  1.50178900   14.05017100    3.83683800
 C                  0.97332400   15.33588100    3.76029400
 H                  1.10470000   16.00204800    4.60912600
 C                  0.29295000   15.79866600    2.63394400
 C                  0.14440600   14.92418000    1.56158100
 H                 -0.37578800   15.25471800    0.66661000
 O                  5.82930000   11.11077800    5.92264500
 C                  4.64348500   10.63797800    6.36406600
 C                  4.42401900    9.64912900    5.26033900
 H                  4.64272700   10.12676000    7.35286600
 H                  3.79133000   11.36135500    6.39024300
 C                 -0.51267800    7.32413800    1.69358400
 H                  0.47186000    6.87115200    1.84158800
 H                 -0.78071400    7.86445600    2.60626300
 H                 -1.23364400    6.51369000    1.57657400
 C                  2.25339700   13.57328000    5.04710900
 H                  1.83764700   12.63640500    5.42850200
 H                  3.30477100   13.38026300    4.81094200
 H                  2.21869300   14.31805400    5.84489000
 C                 -0.22906000   17.21025200    2.55975900
 H                 -0.36421800   17.63725000    3.55635200
 H                  0.46622100   17.85837400    2.01540200
 H                 -1.18892300   17.25300200    2.03830200
 C                 -2.67495400    8.58753500   -2.65942300
 H                 -2.81687700    7.52281200   -2.86266600
 H                 -3.63193900    8.98036100   -2.30035700
 H                 -2.44340000    9.08767100   -3.60235200
 C                  6.53205200    9.84378500    0.26538900
 H                  6.79924000   10.22861800    1.25464600
 H                  5.86954200    8.98853200    0.42631200
 H                  7.44364200    9.49085900   -0.22108600
 C                  6.44135300   12.87817800   -3.77428200
 H                  7.47469500   13.19483700   -3.60507500
 H                  6.46372200   12.09135000   -4.53527600
 H                  5.89224400   13.72672500   -4.18858700
 H                  5.07764500    8.78558400    5.33541800
 C                  4.44585000   10.33842400    3.90652600
 H                  4.25946500   11.40484600    3.98020600
 H                  5.30176500   10.11199100    3.28333200
 O                  3.26655300    9.75526800    3.18632800
 H                  1.25571900    8.86661900    2.67117200
 C                  2.52583800    9.09379500    4.04284800
 O                  2.97177500    8.94230500    5.20149600
 O                  1.41067400    8.62920700    3.66312700
 

   
     


