%chk=Scan-CC-Water.chk
%nprocshared=12
%mem=20GB
#p opt=(modredundant,noeigentest) iop(1/8=10) wb97xd/6-31G* nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 3.41680600   10.84524600    1.50804700
 N                  2.24502300   11.95562700    0.10387300
 O                  4.84659400   11.08956000    0.49508100
 O                  2.24792800    9.51133900    1.47559800
 O                  2.85558600   12.17155800    2.81496600
 C                  3.07468600   12.98283600   -0.59881900
 H                  3.47577300   13.65622000    0.16508000
 H                  2.41846900   13.57701200   -1.24829200
 C                  4.20189700   12.39377300   -1.39363700
 C                  5.04868900   11.47042600   -0.77051800
 C                  6.13752100   10.93013200   -1.48167700
 C                  6.34438500   11.33760200   -2.79658800
 H                  7.18705000   10.91883700   -3.34527400
 C                  5.50605100   12.25658800   -3.43965200
 C                  4.43098100   12.76893600   -2.71810900
 H                  3.75354600   13.47964200   -3.18859900
 C                  1.74795300   10.97416000   -0.90695000
 H                  2.62393400   10.45969200   -1.31549500
 H                  1.28479600   11.52964900   -1.73278600
 C                  0.77728400    9.97455300   -0.35053800
 C                  1.10656600    9.27104200    0.81733400
 C                  0.22270100    8.28677500    1.30216400
 C                 -0.96109900    8.04585900    0.60841100
 H                 -1.63856000    7.28235700    0.98901700
 C                 -1.31460600    8.75025000   -0.54671600
 C                 -0.42696900    9.71942100   -1.00689800
 H                 -0.66742700   10.29008300   -1.90247000
 C                  1.07393700   12.63092100    0.72965100
 H                  0.51074000   11.87754200    1.28730300
 H                  0.41956400   13.01855000   -0.06106500
 C                  1.49147300   13.74506800    1.64418600
 C                  2.39176800   13.48535100    2.66648200
 C                  2.86389300   14.46995200    3.53239100
 C                  2.36500500   15.76042600    3.34949900
 H                  2.71427000   16.55059100    4.01061100
 C                  1.44860700   16.06972300    2.34088200
 C                  1.03230400   15.05031000    1.48447400
 H                  0.33838900   15.27055600    0.67700400
 O                  1.82467100    9.51126100    6.61497800
 C                  2.18747700    8.76793200    5.44746100
 C                  3.24036900    9.22479400    6.33777800
 H                  1.90929300    7.71572600    5.45994300
 H                  2.01012600    9.27102900    4.49816800
 C                  0.54700700    7.53245800    2.56283300
 H                  1.61952400    7.33372800    2.64571200
 H                  0.25496300    8.10915300    3.44928000
 H                  0.00776500    6.58043000    2.59874500
 C                  3.86305500   14.14746600    4.60964700
 H                  3.40434200   13.56446000    5.41655600
 H                  4.69035600   13.54923400    4.21644700
 H                  4.26733500   15.06465400    5.04543900
 C                  0.92562000   17.47456700    2.18827300
 H                  0.21753300   17.71758700    2.98946500
 H                  1.73724900   18.20817400    2.23866600
 H                  0.40675500   17.60424000    1.23395400
 C                 -2.60526500    8.45424200   -1.26937100
 H                 -2.56652700    7.48121700   -1.77473500
 H                 -3.45379700    8.42428900   -0.57628100
 H                 -2.81788700    9.21256000   -2.02979700
 C                  7.03371200    9.92874900   -0.80713300
 H                  7.51260700   10.35662800    0.08116500
 H                  6.46443500    9.05695500   -0.46418500
 H                  7.81777800    9.58190300   -1.48726200
 C                  5.76557800   12.66544600   -4.86824600
 H                  6.74836100   13.14001700   -4.97725400
 H                  5.75013100   11.80149000   -5.54355000
 H                  5.01211200   13.37729900   -5.22052300
 H                  3.64959800    8.49677400    7.03312400
 C                  4.07646000   10.46556800    6.13161900
 H                  3.63379000   11.32025500    6.64669000
 H                  5.08371200   10.30106500    6.52219300
 O                  4.14476500   10.82613400    4.76036200
 C                  4.51571300    9.74916800    4.00168800
 O                  4.80791200    8.71385300    4.57564300
 O                  4.48731900    9.99165600    2.74651500
 H                  2.61031300   11.84928900    3.73145700
 H                  1.44986400   11.08246600    5.67659000
 O                  1.35578800   11.74692600    4.96232600
 H                  1.13056800   12.57627200    5.40500800
 
 B 74 41 S 6 -0.15





