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

FC

0 1
 N                  1.45222000   11.66870200   -0.00555200
 O                  3.82568300   10.07371500    0.13096000
 O                  1.03624900    8.89102800   -0.13881000
 O                  1.98406100   10.58346900    2.50197500
 Cl                 6.11592800    8.97973200   -1.37293600
 Cl                 5.88620000   13.74657100   -3.99545800
 Cl                -0.84845300    6.61530700   -0.32879900
 Cl                -4.01172600   10.27476200   -2.82883000
 Cl                 2.79876900   10.97796500    5.30727300
 Cl                 0.13948400   15.70141900    4.75699000
 C                  2.57686200   12.64295300   -0.09378800
 H                  2.96119800   12.79500400    0.91858100
 H                  2.18714800   13.60323500   -0.44688400
 C                  3.69916900   12.18436900   -0.98471500
 C                  4.27683700   10.91634900   -0.78141300
 C                  5.36243100   10.57132000   -1.59610500
 C                  5.86948000   11.41306300   -2.56967400
 H                  6.70929200   11.10816800   -3.17965200
 C                  5.26296200   12.64352200   -2.74038800
 C                  4.18626100   13.03643300   -1.96791600
 H                  3.72287600   14.00398000   -2.11910300
 C                  0.90081700   11.42248800   -1.36759300
 H                  1.70784000   11.01330300   -1.98090900
 H                  0.60027600   12.37990100   -1.80584300
 C                 -0.25330300   10.46050700   -1.37570200
 C                 -0.06756100    9.19553200   -0.79103800
 C                 -1.10157000    8.26366600   -0.93762300
 C                 -2.29955700    8.56554400   -1.55937800
 H                 -3.08341600    7.82409100   -1.63873200
 C                 -2.45912800    9.84217300   -2.06645400
 C                 -1.45201800   10.78790700   -1.99500400
 H                 -1.58924700   11.77311600   -2.42443600
 C                  0.36351400   12.23330600    0.84222300
 H                 -0.41884900   11.47164300    0.91465800
 H                 -0.06885300   13.09779400    0.32780200
 C                  0.79273300   12.62698500    2.22626900
 C                  1.55731300   11.72819000    2.98964800
 C                  1.85033300   12.09829100    4.30841500
 C                  1.42974000   13.29221700    4.86541700
 H                  1.67491500   13.54053200    5.88956000
 C                  0.69247200   14.15033200    4.07029700
 C                  0.37384800   13.83806200    2.76190900
 H                 -0.20694200   14.52421200    2.15708900
 Al                 2.18733100    9.88897000    0.84373700
 C                 -0.03703600    7.34972400    3.70085300
 C                  0.88217200    6.12950200    3.82796900
 C                 -1.45078900    7.08668000    3.22981600
 H                 -0.01779400    7.96559100    4.60121800
 H                  1.13099200    5.87746400    4.85483200
 H                  0.50902100    5.25804300    3.29035900
 H                 -1.42348700    6.35040200    2.42191900
 H                 -1.99896100    6.63805400    4.06504200
 O                  0.66154100    8.12490400    2.68356000
 C                  1.85774400    7.64955400    2.49954600
 O                  2.68180100    8.18896900    1.76311500
 O                  2.10584100    6.55508600    3.16532900
 C                 -2.14331000    8.35969200    2.74285100
 H                 -2.22838000    9.07719800    3.56833900
 H                 -1.51380800    8.83251100    1.98162000
 C                 -3.51732900    8.10877300    2.12943400
 H                 -4.19315600    7.68554900    2.88177800
 H                 -3.42075400    7.35643800    1.33776400
 C                 -4.12213900    9.38309400    1.54901300
 H                 -4.28817500   10.13344200    2.32921300
 H                 -3.45543600    9.82464900    0.80039400
 H                 -5.08315000    9.18900500    1.06408100

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

