%chk=FC-2Al-2Gly.chk
%nprocshared=12
%mem=22GB
#p opt=(noeigentest) iop(1/8=1) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

IC

0 1
 Al                 1.92407000   10.23754200   -1.07078700
 N                  2.23727400   12.30309400   -1.41996900
 O                  3.74405200   10.33210300   -0.29790600
 O                  0.56709500   10.58710400    0.01222100
 O                  1.67067800    9.94650700   -2.80251100
 C                  3.62802100   12.62750100   -1.84707700
 H                  3.86929000   11.98485600   -2.69810100
 H                  3.65309500   13.66332200   -2.20156100
 C                  4.66580000   12.44858700   -0.77364200
 C                  4.72930100   11.27619100   -0.03581100
 C                  5.68673400   11.04117200    0.94151300
 C                  6.62975500   12.04651000    1.15226500
 H                  7.39193400   11.88787700    1.90919800
 C                  6.61224600   13.24311300    0.43950600
 C                  5.61371800   13.43125500   -0.51535600
 H                  5.57049700   14.36108200   -1.07431600
 C                  1.90619800   13.08260700   -0.18789900
 H                  2.55999800   12.72582600    0.61282400
 H                  2.15283600   14.13524700   -0.36595600
 C                  0.46975700   12.95869100    0.23503700
 C                 -0.11620100   11.69154200    0.32347400
 C                 -1.45343200   11.57025900    0.74277100
 C                 -2.15859200   12.72156600    1.07130700
 H                 -3.19165600   12.62260300    1.39623400
 C                 -1.59166800   13.99677900    0.99142200
 C                 -0.27338400   14.09255900    0.56148200
 H                  0.19582100   15.06900900    0.47459800
 C                  1.30599500   12.72313000   -2.51367100
 H                  0.29440600   12.45944100   -2.19457100
 H                  1.34775200   13.81452300   -2.60083800
 C                  1.60420700   12.08547300   -3.83922800
 C                  1.75396000   10.69673100   -3.90356300
 C                  2.00310800   10.07697600   -5.13901300
 C                  2.07848500   10.86852700   -6.27949500
 H                  2.25872300   10.38431400   -7.23634500
 C                  1.92323300   12.25641500   -6.23967800
 C                  1.69437800   12.84811300   -5.00158100
 H                  1.57816000   13.92656900   -4.93234600
 O                  2.17790500    8.51744100   -0.59991900
 C                  2.00911900    7.40083600   -1.40372100
 C                  0.62370000    6.78892800   -1.19562800
 H                  2.74900400    6.62955700   -1.15359300
 H                  2.12209900    7.63688700   -2.47050600
 C                 -2.08402700   10.20790800    0.80735100
 H                 -1.46762100    9.51432400    1.38566800
 H                 -2.19208300    9.77765100   -0.19321500
 H                 -3.07513900   10.25854300    1.26348900
 C                  2.14925500    8.58347600   -5.19443200
 H                  1.26076000    8.09165200   -4.78716300
 H                  3.00214900    8.24534400   -4.59741000
 H                  2.29127000    8.24010200   -6.22139800
 C                  1.96522100   13.07589000   -7.50395500
 H                  1.01115300   13.01971400   -8.03941900
 H                  2.74120200   12.71924500   -8.18685600
 H                  2.16040900   14.12928900   -7.28900100
 C                 -2.39015800   15.21810000    1.36877500
 H                 -1.84741900   16.13547000    1.12844300
 H                 -2.60893100   15.23212200    2.44165500
 H                 -3.34879400   15.24628900    0.84216200
 C                  5.69500400    9.75829600    1.72546400
 H                  5.89195400    8.89353900    1.08173700
 H                  4.73805400    9.59064400    2.23033200
 H                  6.47476500    9.78207600    2.48727300
 C                  7.65334400   14.30465800    0.67603100
 H                  8.42851600   14.26516300   -0.09602200
 H                  8.14068800   14.17351900    1.64436000
 H                  7.21150600   15.30360200    0.64463600
 H                  0.51680900    6.36711300   -0.19842400
 C                 -0.55239500    7.68472300   -1.56904500
 H                 -0.32865800    8.74632800   -1.56607400
 H                 -1.44477000    7.48197000   -0.97689000
 O                 -0.83077300    7.28698300   -2.93058700
 C                 -0.29910000    6.10739400   -3.13654800
 O                 -0.46746000    5.44522900   -4.14743100
 O                  0.46339100    5.69641500   -2.14886800
 H                  3.92072500    9.42625300    0.00564200
 Al                -2.20371800    5.26642700   -5.13155300
 N                 -4.08576600    4.98758100   -6.04581400
 O                 -1.89617600    6.78635300   -5.99512900
 O                 -2.93480000    5.30147500   -3.50712300
 O                 -1.55398000    3.76592700   -5.80869200
 O                 -4.32652500    1.50442900   -3.57010000
 C                 -4.08115500    5.65064100   -7.37954400
 C                 -5.16052700    5.58312100   -5.20118400
 C                 -4.37794100    3.53825800   -6.22133000
 C                 -2.74420600    7.61789900   -6.60620400
 C                 -4.11020100    4.87222400   -3.05354600
 C                 -1.99498800    2.93253400   -6.75072400
 C                 -2.91682100    1.50547300   -3.51856300
 H                 -4.63083200    2.04823700   -2.83473800
 H                 -3.28553000    5.18068200   -7.96540600
 H                 -5.03186600    5.43606900   -7.88239200
 C                 -3.85902000    7.13402300   -7.30144500
 H                 -4.93676000    6.64764500   -5.09302600
 H                 -6.11500300    5.49802300   -5.73434700
 C                 -5.26161000    4.94523500   -3.84430100
 H                 -4.45249900    3.09896700   -5.22288700
 H                 -5.36700900    3.43962500   -6.68682800
 C                 -3.35914400    2.79331700   -7.03513300
 C                 -2.50805000    9.00418800   -6.55231000
 C                 -4.17663700    4.32511300   -1.76048700
 C                 -1.05365700    2.16944400   -7.46830300
 C                 -2.37637900    0.79638400   -2.30079700
 H                 -2.51948100    2.52709300   -3.54810800
 H                 -2.55625400    0.99005100   -4.41301900
 C                 -4.73701700    8.02588200   -7.91614500
 C                 -6.46375800    4.43453200   -3.35993200
 C                 -3.76911700    1.91048200   -8.03432500
 C                 -3.40067700    9.86175700   -7.18456800
 C                 -1.29164000    9.51403300   -5.83471700
 C                 -5.39495900    3.82850300   -1.30893300
 C                 -2.92707700    4.28071900   -0.92874900
 C                 -1.50252800    1.29231400   -8.44757600
 C                  0.40623200    2.32972600   -7.15136000
 O                 -3.05483300    1.04805700   -1.07341500
 C                 -3.12562700   -0.26538900   -1.63716900
 H                 -1.29008100    0.79361400   -2.22359100
 C                 -4.52605500    9.39943000   -7.87268800
 H                 -5.60672100    7.63094900   -8.43523900
 C                 -6.55369600    3.86595600   -2.09308800
 H                 -7.34555400    4.47563400   -3.99426500
 C                 -2.85865200    1.14360800   -8.75222300
 H                 -4.83132000    1.81905700   -8.24552200
 H                 -3.21645000   10.93251100   -7.13255700
 H                 -0.38335800    9.26463300   -6.39075600
 H                 -1.18985600    9.05287700   -4.84938900
 H                 -1.32580400   10.59992700   -5.71913600
 H                 -5.44224800    3.38588000   -0.31729600
 H                 -2.54623600    5.29129000   -0.74462900
 H                 -2.13183400    3.73413500   -1.44358300
 H                 -3.11091200    3.79663900    0.03140300
 H                 -0.77026800    0.70601400   -8.99776000
 H                  0.60738700    2.10507500   -6.09952400
 H                  0.73372000    3.36082500   -7.31632100
 H                  1.01808400    1.67005400   -7.77103800
 H                 -2.59281900   -1.03466200   -1.08375000
 H                 -4.10163200   -0.54165100   -2.02618100
 C                 -5.46812900   10.36483000   -8.54486800
 C                 -7.85373900    3.31333000   -1.56760300
 C                 -3.30905400    0.17682200   -9.81736600
 H                 -5.00097000   10.83649500   -9.41609700
 H                 -5.76730400   11.16757600   -7.86434800
 H                 -6.37378900    9.85940400   -8.88812400
 H                 -8.61340700    3.27863800   -2.35192600
 H                 -8.24650600    3.92894500   -0.75169800
 H                 -7.72605600    2.29997600   -1.17529800
 H                 -3.09092900   -0.85833000   -9.53488900
 H                 -2.80111100    0.36399700  -10.76874900
 H                 -4.38489400    0.25465100   -9.99146200
 

   
     


