%chk=IC.chk
%nprocshared=8
%mem=22GB
#p opt freq=noraman wb97xd/gen pseudo=read nosymm scrf=(smd,solvent=1-Hexanol)

IC

0 1
 Al                 2.60735900   10.93556500    1.94574300
 N                  1.82327600   11.99909900    0.28226700
 O                  4.25657900   11.02490700    1.25876300
 O                  1.58109500    9.50514100    1.56997900
 O                  1.94840200   12.15882900    3.08286600
 Cl                 6.81489000    9.72572000    0.57846800
 Cl                 6.54705200   12.91574700   -3.82146700
 Cl                -0.18419700    7.27520900    2.36028300
 Cl                -2.66371100    8.38018000   -2.35209700
 Cl                 2.28481300   13.87484700    5.44956700
 Cl                -0.47966100   17.48161400    2.45221600
 C                  2.81761700   13.02246600   -0.14610600
 H                  3.01505700   13.66130900    0.71949300
 H                  2.36406300   13.65494100   -0.91945900
 C                  4.10414900   12.43398900   -0.65362500
 C                  4.75921500   11.46366000    0.12501600
 C                  5.97314200   10.96177500   -0.36262600
 C                  6.53046900   11.39416400   -1.55198500
 H                  7.46922800   10.98361200   -1.89747400
 C                  5.85430100   12.35176800   -2.28800500
 C                  4.64792000   12.86923200   -1.85583200
 H                  4.13380200   13.61351100   -2.45220500
 C                  1.57459100   11.04273500   -0.82990600
 H                  2.52713300   10.55587600   -1.05517900
 H                  1.28044100   11.60588600   -1.72455800
 C                  0.53894000    9.99872600   -0.51772300
 C                  0.64747700    9.25894900    0.67371900
 C                 -0.29117600    8.24002600    0.87882600
 C                 -1.29727400    7.95573800   -0.02566700
 H                 -2.00437800    7.16199900    0.17190200
 C                 -1.37673600    8.71585600   -1.17887000
 C                 -0.47372500    9.73142300   -1.43057300
 H                 -0.55270600   10.30852100   -2.34406200
 C                  0.55033200   12.66586200    0.66764800
 H                 -0.13460700   11.88229400    1.00337800
 H                  0.10621900   13.12507100   -0.22454800
 C                  0.70987900   13.69632800    1.75076100
 C                  1.38633500   13.34071300    2.93022300
 C                  1.44967400   14.29810600    3.95004000
 C                  0.88678800   15.55475100    3.82463800
 H                  0.95804000   16.27108100    4.63138400
 C                  0.24072200   15.87123500    2.64218300
 C                  0.14903700   14.95953200    1.60727600
 H                 -0.36578200   15.22947500    0.69304100
 O                  3.35474700    9.98928000    3.48928100
 C                  3.01155600    9.96013200    4.88643500
 C                  2.92175800    8.73421800    4.08591200
 H                  3.87216600   10.12314000    5.52559800
 H                  2.11624000   10.52169800    5.12694900
 H                  1.93625300    8.44973600    3.72995500
 C                  3.97931000    7.67503300    4.03415800
 H                  4.90213800    8.05503200    4.48473500
 H                  3.64501000    6.82117400    4.63410800
 C                  4.23495600    7.24997000    2.58619600
 H                  3.29934500    6.88403400    2.14690600
 H                  4.52694300    8.13559300    2.01131300
 C                  5.32213100    6.18821100    2.45399600
 H                  5.03566800    5.29456800    3.02150600
 H                  6.24586100    6.56304400    2.91029000
 C                  5.58985000    5.81357900    0.99914500
 H                  6.37291000    5.05557500    0.91975200
 H                  4.68759200    5.41410000    0.52609100
 H                  5.90794400    6.68990800    0.42727800
   
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

