%chk=Al-ephx-pdto-1_opt.chk
%nprocshared=12
%mem=20GB
#p opt freq=noraman wB97XD/gen pseudo=read nosymm

Al-ephx-pdto-1_opt

0 1
 7                    1.593058   11.952341   -0.316305
 8                    3.649974   10.040068   -0.046368
 8                    0.641176    9.289965   -0.383154
 8                    1.594115   10.710264    2.213019
17                    5.988294    8.671159   -1.267308
17                    6.879090   13.570126   -3.531965
17                   -1.688340    7.459048   -0.670619
17                   -3.428868   11.248152   -4.210731
17                    1.964320   10.862020    5.151508
17                    0.200529   16.000372    4.466351
 6                    2.846657   12.775596   -0.254324
 1                    3.101143   12.874304    0.804498
 1                    2.625045   13.782514   -0.628479
 6                    4.014340   12.197650   -1.012177
 6                    4.363587   10.843809   -0.815577
 6                    5.511228   10.373085   -1.480411
 6                    6.282653   11.184522   -2.298279
 1                    7.157273   10.786214   -2.792658
 6                    5.900697   12.507515   -2.470144
 6                    4.777496   13.019581   -1.842594
 1                    4.501033   14.056218   -1.990347
 6                    1.188400   11.751660   -1.747039
 1                    2.017826   11.235337   -2.237119
 1                    1.090813   12.732592   -2.227982
 6                   -0.086280   10.965968   -1.930852
 6                   -0.251831    9.740719   -1.245550
 6                   -1.425055    9.013207   -1.515844
 6                   -2.390546    9.448139   -2.409907
 1                   -3.277091    8.856682   -2.589193
 6                   -2.190728   10.658730   -3.057506
 6                   -1.057071   11.419976   -2.824096
 1                   -0.923866   12.361006   -3.343267
 6                    0.496151   12.661382    0.417897
 1                   -0.395853   12.036103    0.326685
 1                    0.279268   13.605010   -0.098001
 6                    0.775797   12.933710    1.875390
 6                    1.262746   11.892545    2.696345
 6                    1.380641   12.163934    4.071253
 6                    1.062299   13.393553    4.625122
 1                    1.172408   13.562727    5.686840
 6                    0.607676   14.396102    3.780027
 6                    0.463237   14.179993    2.419036
 1                    0.096281   14.976338    1.783403
13                    1.970173   10.037872    0.578185
 6                    0.048131    7.160037    3.793366
 6                    1.176242    6.118035    3.836452
 6                   -1.350142    6.604899    3.606246
 1                    0.099386    7.843207    4.644759
 1                    1.590870    5.959777    4.829584
 1                    0.885906    5.164614    3.390657
 1                   -1.355546    5.971124    2.712385
 1                   -1.560068    5.950689    4.462350
 8                    0.432328    7.956757    2.627270
 6                    1.685800    7.701986    2.312712
 8                    2.326016    8.303615    1.467701
 8                    2.210529    6.701838    3.007487
 6                   -2.431588    7.684904    3.491776
 1                   -2.419880    8.310120    4.393335
 1                   -2.186881    8.340748    2.651211
 6                   -3.834779    7.101789    3.291145
 1                   -4.080308    6.441993    4.132415
 1                   -3.835219    6.471436    2.394457
 6                   -4.912368    8.180451    3.153529
 1                   -4.955277    8.814972    4.044078
 1                   -4.712661    8.826495    2.293830
 1                   -5.901358    7.736855    3.013603   

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

