%chk=Al-catalyst-ephx_opt.chk
%nprocshared=8
%mem=28GB
#p opt freq=noraman m062x/gen pseudo=read nosymm

Al-catlyst-ephx_opt

0 1
13                    2.525058   10.930715    1.821072
 7                    1.726321   12.083023    0.203041
 8                    4.166285   10.980463    1.092427
 8                    1.415184    9.553029    1.444562
 8                    1.960547   12.153051    3.020256
17                    6.784827    9.740124    0.408439
17                    6.508064   13.050061   -3.935221
17                   -0.422134    7.344325    2.238350
17                   -2.995261    8.652524   -2.404306
17                    2.397148   13.771302    5.475154
17                   -0.382437   17.578518    2.698095
 6                    2.756570   13.074626   -0.253946
 1                    2.980579   13.710657    0.606722
 1                    2.308897   13.717327   -1.021566
 6                    4.027673   12.460359   -0.783096
 6                    4.680185   11.461798   -0.027505
 6                    5.911358   10.989953   -0.517373
 6                    6.478615   11.461298   -1.691186
 1                    7.426417   11.071815   -2.034703
 6                    5.799030   12.434375   -2.409928
 6                    4.583895   12.934421   -1.971704
 1                    4.075138   13.698050   -2.546964
 6                    1.377568   11.164213   -0.929763
 1                    2.303726   10.661881   -1.220932
 1                    1.055820   11.767532   -1.787271
 6                    0.319118   10.140470   -0.604149
 6                    0.440495    9.360503    0.566908
 6                   -0.527259    8.361746    0.771375
 6                   -1.567237    8.129180   -0.114946
 1                   -2.290497    7.350628    0.081466
 6                   -1.655576    8.923706   -1.248490
 6                   -0.730057    9.924047   -1.497892
 1                   -0.818522   10.528721   -2.391872
 6                    0.496547   12.812096    0.657374
 1                   -0.220919   12.048763    0.969359
 1                    0.058964   13.334748   -0.201831
 6                    0.726548   13.787917    1.783807
 6                    1.423797   13.361090    2.934154
 6                    1.529610   14.273225    3.998283
 6                    0.987381   15.547929    3.945614
 1                    1.092160   16.222038    4.783684
 6                    0.318543   15.933320    2.792483
 6                    0.185900   15.072404    1.715049
 1                   -0.345602   15.395379    0.828496
 8                    3.278422    9.903818    3.343746
 6                    2.748185    9.774031    4.691031
 6                    2.930805    8.569401    3.870831
 1                    3.480902   10.027230    5.448928
 1                    1.762637   10.203819    4.820376
 1                    2.046916    8.178909    3.377362
 6                    4.097002    7.636361    4.024411
 1                    4.930450    8.174755    4.487349
 1                    3.794519    6.847364    4.725280
 6                    4.537457    7.016569    2.691055
 1                    3.688796    6.485891    2.242399
 1                    4.805748    7.821384    1.999156
 6                    5.722201    6.056018    2.837902
 1                    5.461376    5.258942    3.545288
 1                    6.568159    6.594406    3.281504
 6                    6.154932    5.437488    1.505714
 1                    7.007945    4.766547    1.637326
 1                    5.342328    4.857829    1.056802
 1                    6.445213    6.211381    0.789332
   
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

