%chk=IC.chk
%nprocshared=8
%mem=22GB
#p opt freq=noraman m062x/gen pseudo=read nosymm scrf=(smd,solvent=1-Hexanol)

IC

0 1
 Al                 2.61793600   10.92588900    1.93344400
 N                  1.83759900   11.99331500    0.29252100
 O                  4.26288000   10.98472400    1.22705400
 O                  1.56864000    9.50676600    1.57251100
 O                  1.98153400   12.15474300    3.08289900
 Cl                 6.78284600    9.66136200    0.49223500
 Cl                 6.52897300   12.94266500   -3.83821100
 Cl                -0.19719400    7.29385700    2.34514700
 Cl                -2.63641300    8.38184400   -2.39151800
 Cl                 2.29084300   13.84353400    5.45628400
 Cl                -0.50283800   17.45500100    2.49344000
 C                  2.83471500   13.02462100   -0.11945100
 H                  3.05167900   13.63130600    0.76516400
 H                  2.37590200   13.68213100   -0.86813700
 C                  4.10931900   12.43499100   -0.65875200
 C                  4.75888800   11.44079200    0.09421700
 C                  5.96065900   10.93055600   -0.41614000
 C                  6.51338400   11.37912800   -1.60229000
 H                  7.44379500   10.96465500   -1.96533000
 C                  5.84207100   12.36138900   -2.31224100
 C                  4.64584700   12.88786700   -1.85913600
 H                  4.13856900   13.65175300   -2.43577800
 C                  1.59551600   11.04280600   -0.82919300
 H                  2.54610900   10.54406600   -1.03844100
 H                  1.31785500   11.61282000   -1.72444100
 C                  0.54544000   10.00732100   -0.52849100
 C                  0.63994400    9.26833000    0.66459500
 C                 -0.30366800    8.25215400    0.86341600
 C                 -1.30238900    7.96733300   -0.04964100
 H                 -2.01184100    7.17377300    0.14010900
 C                 -1.36718400    8.72684500   -1.20593300
 C                 -0.45972700    9.74157100   -1.45244700
 H                 -0.52792900   10.31420300   -2.36952600
 C                  0.55960300   12.65270100    0.68114100
 H                 -0.11353400   11.86453600    1.03129000
 H                  0.10772000   13.10353000   -0.21119300
 C                  0.72042400   13.68886600    1.76044400
 C                  1.40534700   13.33353300    2.93514400
 C                  1.45858700   14.28280400    3.96305700
 C                  0.88274100   15.53547200    3.85011300
 H                  0.94595500   16.24433100    4.66406900
 C                  0.23268300   15.85374400    2.66879700
 C                  0.14623900   14.94860600    1.62592200
 H                 -0.37825400   15.22118300    0.71820400
 O                  3.35993900    9.98187200    3.47281500
 C                  2.99761900    9.98581000    4.86393100
 C                  2.90751300    8.74402400    4.07783900
 H                  3.85233400   10.14745300    5.51004000
 H                  2.10645700   10.56373300    5.07769600
 H                  1.92434000    8.46071300    3.71383000
 C                  3.96979900    7.68738100    4.04975000
 H                  4.88703000    8.08446700    4.49605700
 H                  3.64277000    6.83542400    4.65431200
 C                  4.22909500    7.25781400    2.60307200
 H                  3.29876700    6.86963100    2.17163500
 H                  4.50339800    8.14518900    2.02071000
 C                  5.33714300    6.21619200    2.48030000
 H                  5.08203900    5.33559800    3.08018700
 H                  6.26128900    6.62637800    2.90184600
 C                  5.57424700    5.80600600    1.02910700
 H                  6.37385700    5.06766800    0.94603000
 H                  4.66899400    5.37202300    0.59671800
 H                  5.85056300    6.67470200    0.42651600
   
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

