%chk=IC.chk
%nprocshared=8
%mem=22GB
#p opt freq=noraman b97d3/gen pseudo=read nosymm scrf=(smd,solvent=1-Hexanol)

IC

0 1
 Al                 2.54787900   10.94421700    1.92267000
 N                  1.79140600   12.01000900    0.28795600
 O                  4.22524800   11.01224700    1.26335100
 O                  1.50075600    9.51642300    1.55340900
 O                  1.95749900   12.19298300    3.08299500
 Cl                 6.82775100    9.76942200    0.61136600
 Cl                 6.54799400   12.96859900   -3.78756400
 Cl                -0.33181100    7.32903400    2.33503300
 Cl                -2.74510400    8.48993200   -2.40512200
 Cl                 2.37295000   13.95285400    5.41427400
 Cl                -0.48239200   17.51728600    2.44257300
 C                  2.78759800   13.03105000   -0.14552600
 H                  2.99367900   13.67669800    0.71265700
 H                  2.33657500   13.65312900   -0.92539000
 C                  4.07754800   12.44054600   -0.64171700
 C                  4.73468100   11.46934600    0.13540700
 C                  5.96269600   10.99383400   -0.34150600
 C                  6.53272400   11.43602000   -1.52202700
 H                  7.48284400   11.04233600   -1.85813600
 C                  5.84514000   12.38535500   -2.25529900
 C                  4.62791900   12.88819700   -1.83530400
 H                  4.10380900   13.62928700   -2.42701000
 C                  1.52866800   11.07271000   -0.84029500
 H                  2.46974200   10.56678900   -1.07302100
 H                  1.24110700   11.65476100   -1.72214500
 C                  0.47822800   10.04123100   -0.53890800
 C                  0.56265700    9.29547000    0.65104400
 C                 -0.40129300    8.29936000    0.84713500
 C                 -1.40837500    8.03408700   -0.06320400
 H                 -2.13412600    7.25512100    0.12814400
 C                 -1.45538100    8.79950600   -1.21323700
 C                 -0.53219500    9.79814600   -1.45994700
 H                 -0.58711600   10.38437500   -2.36928500
 C                  0.52275100   12.69267500    0.67158000
 H                 -0.17530300   11.92393300    1.01454400
 H                  0.08915000   13.15703900   -0.21998000
 C                  0.69781900   13.72172400    1.75373900
 C                  1.39734800   13.37713600    2.92425200
 C                  1.48719300   14.35029800    3.92690800
 C                  0.92295300   15.60739200    3.80614200
 H                  1.01634100   16.33396100    4.60231900
 C                  0.24886500   15.90205200    2.63532300
 C                  0.13401400   14.98269900    1.60948800
 H                 -0.39516200   15.23695600    0.69880600
 O                  3.29971000    9.97666300    3.45684800
 C                  2.90726900    9.86383200    4.84581300
 C                  2.96377400    8.66550700    4.01180200
 H                  3.72090600   10.09029700    5.52553100
 H                  1.94460900   10.30757400    5.07104100
 H                  2.01834600    8.30533800    3.61886200
 C                  4.10128900    7.69615500    3.99669300
 H                  5.00068100    8.18043400    4.39066000
 H                  3.84627700    6.87216000    4.67291200
 C                  4.34651300    7.16542500    2.58405000
 H                  3.42469500    6.70395100    2.20903500
 H                  4.56607700    8.01047000    1.92091700
 C                  5.48820900    6.15637900    2.51426500
 H                  5.28347900    5.33154100    3.20760800
 H                  6.41223800    6.63245600    2.86311300
 C                  5.69753100    5.60243700    1.10905400
 H                  6.50928500    4.86965500    1.08629700
 H                  4.79189600    5.10781200    0.74259500
 H                  5.94840200    6.40118100    0.40372700
   
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

