%chk=IC.chk
%nprocshared=8
%mem=22GB
#p opt freq=noraman b3lyp/gen pseudo=read nosymm scrf=(smd,solvent=1-Hexanol)

IC

0 1
 Al                 2.52505800   10.93071500    1.82107200
 N                  1.72632100   12.08302300    0.20304100
 O                  4.16628500   10.98046300    1.09242700
 O                  1.41518400    9.55302900    1.44456200
 O                  1.96054700   12.15305100    3.02025600
 Cl                 6.78482700    9.74012400    0.40843900
 Cl                 6.50806400   13.05006100   -3.93522100
 Cl                -0.42213400    7.34432500    2.23835000
 Cl                -2.99526100    8.65252400   -2.40430600
 Cl                 2.39714800   13.77130200    5.47515400
 Cl                -0.38243700   17.57851800    2.69809500
 C                  2.75657000   13.07462600   -0.25394600
 H                  2.98057900   13.71065700    0.60672200
 H                  2.30889700   13.71732700   -1.02156600
 C                  4.02767300   12.46035900   -0.78309600
 C                  4.68018500   11.46179800   -0.02750500
 C                  5.91135800   10.98995300   -0.51737300
 C                  6.47861500   11.46129800   -1.69118600
 H                  7.42641700   11.07181500   -2.03470300
 C                  5.79903000   12.43437500   -2.40992800
 C                  4.58389500   12.93442100   -1.97170400
 H                  4.07513800   13.69805000   -2.54696400
 C                  1.37756800   11.16421300   -0.92976300
 H                  2.30372600   10.66188100   -1.22093200
 H                  1.05582000   11.76753200   -1.78727100
 C                  0.31911800   10.14047000   -0.60414900
 C                  0.44049500    9.36050300    0.56690800
 C                 -0.52725900    8.36174600    0.77137500
 C                 -1.56723700    8.12918000   -0.11494600
 H                 -2.29049700    7.35062800    0.08146600
 C                 -1.65557600    8.92370600   -1.24849000
 C                 -0.73005700    9.92404700   -1.49789200
 H                 -0.81852200   10.52872100   -2.39187200
 C                  0.49654700   12.81209600    0.65737400
 H                 -0.22091900   12.04876300    0.96935900
 H                  0.05896400   13.33474800   -0.20183100
 C                  0.72654800   13.78791700    1.78380700
 C                  1.42379700   13.36109000    2.93415400
 C                  1.52961000   14.27322500    3.99828300
 C                  0.98738100   15.54792900    3.94561400
 H                  1.09216000   16.22203800    4.78368400
 C                  0.31854300   15.93332000    2.79248300
 C                  0.18590000   15.07240400    1.71504900
 H                 -0.34560200   15.39537900    0.82849600
 O                  3.27842200    9.90381800    3.34374600
 C                  2.74818500    9.77403100    4.69103100
 C                  2.93080500    8.56940100    3.87083100
 H                  3.48090200   10.02723000    5.44892800
 H                  1.76263700   10.20381900    4.82037600
 H                  2.04691600    8.17890900    3.37736200
 C                  4.09700200    7.63636100    4.02441100
 H                  4.93045000    8.17475500    4.48734900
 H                  3.79451900    6.84736400    4.72528000
 C                  4.53745700    7.01656900    2.69105500
 H                  3.68879600    6.48589100    2.24239900
 H                  4.80574800    7.82138400    1.99915600
 C                  5.72220100    6.05601800    2.83790200
 H                  5.46137600    5.25894200    3.54528800
 H                  6.56815900    6.59440600    3.28150400
 C                  6.15493200    5.43748800    1.50571400
 H                  7.00794500    4.76654700    1.63732600
 H                  5.34232800    4.85782900    1.05680200
 H                  6.44521300    6.21138100    0.78933200
   
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

