%chk=Int3-solv.chk
%nprocshared=4
%mem=6GB
#p scrf=(solvent=1-hexanol) b97d3/gen pseudo=read nosymm

Int2-solv

-1 1
 Al                -5.79691500    2.91871200    3.54345300
 O                 -4.25851100    3.64088100    2.57025800
 O                 -5.37399900    3.83978000    5.10791300
 N                 -6.96690100    4.55852400    2.82650100
 O                 -7.31301800    2.02078200    4.13508100
 O                 -5.81537500    1.94590400    1.70051000
 C                 -6.30718900    4.40534400    5.85060300
 C                 -7.27837800    5.26572900    5.26806100
 C                 -8.33219700    5.78979600    6.02014800
 C                 -8.41836000    5.48235000    7.37331500
 C                 -7.45647600    4.70339500    8.00972900
 C                 -6.41030500    4.19559500    7.24385500
 C                 -7.06975800    5.67741400    3.83326800
 H                 -9.09189500    6.40839000    5.55202500
 H                 -7.52297900    4.47756300    9.06782900
 C                 -8.47706700    2.53595900    4.47366100
 C                 -9.17105800    2.16471500    5.64839300
 C                -10.40071400    2.70836700    6.01256800
 C                -10.97651500    3.65890600    5.17560700
 C                -10.33389100    4.08889100    4.01969000
 C                 -9.09530900    3.54330200    3.68317900
 H                -10.88141300    2.40873300    6.93654500
 H                -10.77948900    4.86434900    3.40228800
 C                 -8.33712600    4.03488000    2.48826200
 C                 -3.99829300    4.93684500    2.31716200
 C                 -2.78202700    5.54803200    2.66732800
 C                 -2.52662100    6.88298400    2.34443700
 C                 -3.53060900    7.62066300    1.72541500
 C                 -4.78315300    7.07861600    1.45589000
 C                 -5.01597600    5.73373700    1.76138800
 H                 -1.57294400    7.33075700    2.59851600
 H                 -5.56801300    7.69120200    1.02219400
 C                 -6.35819700    5.09588900    1.54653900
 C                 -6.55029800    0.97917900    1.13042300
 C                 -7.56891000    1.23152000    0.18003100
 C                 -8.44234600    0.24808300   -0.28553200
 C                 -8.24077100   -1.06071900    0.13101900
 C                 -7.13334400   -1.39903400    0.89809800
 C                 -6.27694100   -0.39605300    1.36311900
 H                 -2.64474700   -1.87007100    1.90723200
 H                 -9.23134300    0.50446700   -0.98290900
 H                 -6.91553000   -2.43941400    1.12017700
 H                 -4.76764700   -0.22386600   -0.46093500
 Al                -3.79147800    1.93753100    1.78574100
 H                 -2.64539600   -0.56355100    3.11432700
 O                 -1.95964300    1.95938900    1.94848300
 N                 -3.77543400   -0.14769900    1.38553900
 O                 -3.87781600    2.39835500   -0.01908700
 H                 -8.18618600    3.22281400    1.78047600
 C                 -1.05210000    1.12200700    1.49818500
 C                 -1.26333900   -0.28273300    1.51488600
 C                 -0.31139800   -1.17792900    1.02415700
 C                  0.87196400   -0.68466500    0.48745400
 C                  1.11943500    0.68238300    0.41230700
 C                  0.16237600    1.56050100    0.91584800
 C                 -2.57179100   -0.78154300    2.04654600
 H                 -0.50355500   -2.24774300    1.03839900
 H                  2.02382800    1.06428500   -0.04696300
 C                 -2.99917100    1.87628300   -0.85461100
 C                 -2.18149500    2.67109100   -1.68632700
 C                 -1.19032500    2.13089300   -2.50015600
 C                 -1.02603600    0.74753500   -2.50101100
 C                 -1.82525000   -0.09143500   -1.73222000
 C                 -2.80995500    0.46841200   -0.91366200
 H                 -0.54727900    2.77567400   -3.08805000
 H                 -1.65543900   -1.16372100   -1.74058900
 C                 -3.74747200   -0.40277500   -0.10925500
 H                 -3.51408900   -1.46541500   -0.26782500
 H                 -6.12075000    6.21892000    3.77316800
 H                 -7.86935100    6.35979000    3.50899400
 H                 -8.90061400    4.82928200    1.97760200
 C                 -4.98066500   -0.81574800    1.99815700
 H                 -4.86816900   -1.90206100    1.88761800
 H                 -4.97407800   -0.59989700    3.06378400
 H                 -6.25864700    4.24528400    0.87279200
 H                 -7.05742000    5.82086900    1.10602000
 O                 -5.06798000    0.35581800    5.41131700
 C                 -4.85028000   -0.72524000    6.34609600
 C                 -6.04750000   -1.66217000    6.18362300
 H                 -3.91965400   -1.23232100    6.07262700
 C                 -6.42520800   -2.38683300    7.47014800
 H                 -7.00873100   -3.28196900    7.23341400
 H                 -7.09067400   -1.71348300    8.03138400
 C                 -4.73515300   -0.22559400    7.78402900
 H                 -3.92972500    0.51281200    7.82520200
 H                 -5.65774300    0.29676300    8.05619700
 C                 -5.18140000   -2.70994100    8.30451100
 C                 -4.45131600   -1.40985500    8.73698400
 H                 -4.51480700   -3.33229000    7.69267800
 H                 -5.45347400   -3.30940900    9.18183500
 H                 -4.75993100   -1.12420400    9.75083300
 Cl                -9.81985200    6.09018200    8.33019200
 Cl                -5.15429300    3.22456700    8.06623800
 Cl               -12.56679300    4.37512800    5.62150300
 Cl                -8.41541200    0.99128100    6.77398200
 Cl                 2.09727800   -1.83748400   -0.16310300
 Cl                 0.46232800    3.31256700    0.75158200
 Cl                -2.38763200    4.44696300   -1.63085800
 Cl                 0.29106500    0.03136900   -3.50301300
 Cl                -3.21258000    9.34236500    1.30562200
 Cl                -1.57649200    4.65743100    3.60222100
 Cl                -9.37120500   -2.34316000   -0.42016500
 Cl                -7.71054100    2.82680200   -0.63639800
 H                 -3.37064500   -1.59754200    8.77946400
 H                 -6.88504900   -1.12821500    5.73805100
 C                 -3.98254600    0.81074700    4.73227900
 O                 -2.83616000    0.50833100    4.98303800
 O                 -4.39583300    1.55505800    3.71077500
 Cl                -5.62076900   -2.95655900    4.83721100

C,H,O,N 0
6-311G**
****
Al     0 
S   2   1.00
      0.9615000             -0.5021546        
      0.1819000              1.2342547        
S   1   1.00
      0.0657000              1.0000000        
P   2   1.00
      1.9280000             -0.0712584        
      0.2013000              1.0162966        
P   1   1.00
      0.0580000              1.0000000        
****
Cl     0 
S   2   1.00
      2.2310000             -0.4900589        
      0.4720000              1.2542684        
S   1   1.00
      0.1631000              1.0000000        
P   2   1.00
      6.2960000             -0.0635641        
      0.6333000              1.0141355        
P   1   1.00
      0.1819000              1.0000000        
****

AL     0
AL-ECP     2     10
d   potential
  5
1    304.7291926            -10.0000000        
2     61.5299768            -63.8079837        
2     13.9259006            -22.8972174        
2      4.1463626             -8.0063232        
2      1.3715443             -0.8829345        
s-d potential
  5
0    467.8437756              3.0000000        
1     79.3992216             50.9705682        
2     25.4035967            143.8716460        
2      6.9954696             48.0055753        
2      1.7860129             14.0114180        
p-d potential
  6
0    776.2717190              5.0000000        
1    118.4992254             93.0595424        
2     34.4107276            266.7686329        
2      8.7859563             70.0725805        
2      2.3406228             17.2290839        
2      0.7398386              0.7105331        
CL     0
CL-ECP     2     10
d   potential
  5
1     94.8130000            -10.0000000        
2    165.6440000             66.2729170        
2     30.8317000            -28.9685950        
2     10.5841000            -12.8663370        
2      3.7704000             -1.7102170        
s-d potential
  5
0    128.8391000              3.0000000        
1    120.3786000             12.8528510        
2     63.5622000            275.6723980        
2     18.0695000            115.6777120        
2      3.8142000             35.0606090        
p-d potential
  6
0    216.5263000              5.0000000        
1     46.5723000              7.4794860        
2    147.4685000            613.0320000        
2     48.9869000            280.8006850        
2     13.2096000            107.8788240        
2      3.1831000             15.3439560        



