%chk=Al-catlyst-ephx_solv-hxnol.chk
%nprocshared=8
%mem=18GB
#p scrf=(solvent=1-Hexanol) m062x/gen pseudo=read nosymm

Al-catlyst-ephx_solv-hxnol

0 1
13           0        2.617936   10.925889    1.933444
 7           0        1.837599   11.993315    0.292521
 8           0        4.262880   10.984724    1.227054
 8           0        1.568640    9.506766    1.572511
 8           0        1.981534   12.154743    3.082899
17           0        6.782846    9.661362    0.492235
17           0        6.528973   12.942665   -3.838211
17           0       -0.197194    7.293857    2.345147
17           0       -2.636413    8.381844   -2.391518
17           0        2.290843   13.843534    5.456284
17           0       -0.502838   17.455001    2.493440
 6           0        2.834715   13.024621   -0.119451
 1           0        3.051679   13.631306    0.765164
 1           0        2.375902   13.682131   -0.868137
 6           0        4.109319   12.434991   -0.658752
 6           0        4.758888   11.440792    0.094217
 6           0        5.960659   10.930556   -0.416140
 6           0        6.513384   11.379128   -1.602290
 1           0        7.443795   10.964655   -1.965330
 6           0        5.842071   12.361389   -2.312241
 6           0        4.645847   12.887867   -1.859136
 1           0        4.138569   13.651753   -2.435778
 6           0        1.595516   11.042806   -0.829193
 1           0        2.546109   10.544066   -1.038441
 1           0        1.317855   11.612820   -1.724441
 6           0        0.545440   10.007321   -0.528491
 6           0        0.639944    9.268330    0.664595
 6           0       -0.303668    8.252154    0.863416
 6           0       -1.302389    7.967333   -0.049641
 1           0       -2.011841    7.173773    0.140109
 6           0       -1.367184    8.726845   -1.205933
 6           0       -0.459727    9.741571   -1.452447
 1           0       -0.527929   10.314203   -2.369526
 6           0        0.559603   12.652701    0.681141
 1           0       -0.113534   11.864536    1.031290
 1           0        0.107720   13.103530   -0.211193
 6           0        0.720424   13.688866    1.760444
 6           0        1.405347   13.333533    2.935144
 6           0        1.458587   14.282804    3.963057
 6           0        0.882741   15.535472    3.850113
 1           0        0.945955   16.244331    4.664069
 6           0        0.232683   15.853744    2.668797
 6           0        0.146239   14.948606    1.625922
 1           0       -0.378254   15.221183    0.718204
 8           0        3.359939    9.981872    3.472815
 6           0        2.997619    9.985810    4.863931
 6           0        2.907513    8.744024    4.077839
 1           0        3.852334   10.147453    5.510040
 1           0        2.106457   10.563733    5.077696
 1           0        1.924340    8.460713    3.713830
 6           0        3.969799    7.687381    4.049750
 1           0        4.887030    8.084467    4.496057
 1           0        3.642770    6.835424    4.654312
 6           0        4.229095    7.257814    2.603072
 1           0        3.298767    6.869631    2.171635
 1           0        4.503398    8.145189    2.020710
 6           0        5.337143    6.216192    2.480300
 1           0        5.082039    5.335598    3.080187
 1           0        6.261289    6.626378    2.901846
 6           0        5.574247    5.806006    1.029107
 1           0        6.373857    5.067668    0.946030
 1           0        4.668994    5.372023    0.596718
 1           0        5.850563    6.674702    0.426516

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

