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

IC

0 1
 Al                 2.54406700   10.86912400    1.83425200
 N                  1.78079300   11.92687500    0.26859900
 O                  4.15084300   10.66763400    1.08471200
 O                  1.53593900    9.29349100    1.33468100
 O                  2.62548000   12.35383600    2.84773000
 C                  2.80441100   12.94228000   -0.12759900
 H                  3.00028400   13.56331100    0.74834900
 H                  2.36141200   13.58864800   -0.89622500
 C                  4.09068400   12.34439800   -0.63732300
 C                  4.69692000   11.25945400    0.02109200
 C                  5.92115000   10.75472400   -0.46902700
 C                  6.50593300   11.34917400   -1.58247200
 H                  7.45097400   10.95107800   -1.95048000
 C                  5.91756100   12.42964100   -2.24984200
 C                  4.70367900   12.90314900   -1.76156500
 H                  4.21267500   13.73522800   -2.26394300
 C                  1.48245200   11.09240000   -0.92767500
 H                  2.43230900   10.65967800   -1.25454100
 H                  1.13645300   11.75670500   -1.72997700
 C                  0.48482600    9.98945900   -0.71697300
 C                  0.59677200    9.10970600    0.36140600
 C                 -0.29270900    8.03357800    0.50433900
 C                 -1.27979900    7.85533600   -0.46241800
 H                 -1.97169600    7.02200200   -0.35407800
 C                 -1.41626400    8.71714000   -1.55434500
 C                 -0.52633800    9.78367400   -1.65747000
 H                 -0.61296600   10.47774100   -2.49120200
 C                  0.54833100   12.61299400    0.73956000
 H                 -0.16470300   11.83046200    1.01832600
 H                  0.11496500   13.16458300   -0.10573200
 C                  0.75520200   13.55317500    1.90668500
 C                  1.72762100   13.34197400    2.90393500
 C                  1.80197700   14.24462800    3.98857400
 C                  0.91620900   15.31434900    4.05537100
 H                  0.98858500   16.00164300    4.89734900
 C                 -0.05524500   15.53941000    3.07410600
 C                 -0.10761900   14.64833300    2.00760600
 H                 -0.84648900   14.80148300    1.22213200
 O                  3.17594100    9.69120600    3.32284900
 C                  3.59964200   10.15062100    4.63026000
 C                  2.31956400    9.45683500    4.47601100
 H                  4.46793400    9.61452000    5.00022700
 H                  3.59947400   11.23093300    4.72881300
 C                 -0.17148700    7.11364900    1.68999100
 H                  0.83624400    6.69023000    1.76596200
 H                 -0.36632900    7.64394800    2.63052500
 H                 -0.88849900    6.29074100    1.61750800
 C                  2.84318900   14.02371200    5.05201800
 H                  2.65163600   13.09896100    5.61079900
 H                  3.84409500   13.92817900    4.61639700
 H                  2.85426300   14.85046500    5.76930800
 C                 -1.00805400   16.70442500    3.17631300
 H                 -1.73942500   16.55721600    3.98101700
 H                 -0.47823900   17.63984300    3.39080800
 H                 -1.56659300   16.84205400    2.24470000
 C                 -2.48158800    8.48540100   -2.59649800
 H                 -2.15492700    7.74515900   -3.33759600
 H                 -3.40561600    8.10770200   -2.14601700
 H                 -2.71782100    9.40800400   -3.13632600
 C                  6.55790400    9.58335600    0.22752700
 H                  6.76375300    9.80861500    1.28049400
 H                  5.89560300    8.70950600    0.22023700
 H                  7.49986700    9.30439100   -0.25512500
 C                  6.58383200   13.05563000   -3.44994900
 H                  7.50787000   13.57658600   -3.16960500
 H                  6.85499400   12.30198100   -4.19836000
 H                  5.92599900   13.78585100   -3.93244400
 H                  2.27717900    8.39849100    4.71770800
 C                  0.99633800   10.21465500    4.39610400
 H                  0.23291200    9.63459400    4.92958500
 H                  1.09026700   11.18750000    4.89215000
 O                  0.63113600   10.43038800    3.06044500
 H                  0.93155100    9.62074100    2.32853500
 
 B 73 4 S 6 -0.1
 B 72 1 F
   
     


