%chk=Al-cho_pdto-1_solv-hxnol.chk
%nprocshared=8
%mem=18GB
#p SCRF=(Solvent=1-Hexanol) b97d3/gen pseudo=read nosymm

Al-cho_pdto-1_solv-hxnol

0 1
 7                    1.685739   11.903554   -0.355014
 8                    4.134053   10.510763   -0.080716
 8                    1.351117    9.103892   -0.235742
 8                    2.092534   10.909816    2.233073
17                    6.602463    9.583352   -1.457155
17                    6.217597   14.391425   -4.059574
17                   -0.546423    6.808482   -0.297030
17                   -3.264437    9.968388   -3.861879
17                    2.452822   11.324599    5.144834
17                   -0.514071   15.849633    4.215872
 6                    2.724421   12.989449   -0.375545
 1                    2.999509   13.173126    0.670300
 1                    2.265066   13.910710   -0.763118
 6                    3.940106   12.635457   -1.189352
 6                    4.590283   11.397062   -0.953927
 6                    5.757125   11.131432   -1.707050
 6                    6.264510   12.028049   -2.643504
 1                    7.160859   11.786778   -3.203525
 6                    5.586893   13.228616   -2.846902
 6                    4.431811   13.539917   -2.138219
 1                    3.920472   14.482180   -2.315258
 6                    1.307722   11.530079   -1.760059
 1                    2.219146   11.151405   -2.237346
 1                    1.007484   12.439542   -2.301095
 6                    0.212664   10.498495   -1.828246
 6                    0.341487    9.308845   -1.064818
 6                   -0.673217    8.338429   -1.221309
 6                   -1.766206    8.514963   -2.064107
 1                   -2.524292    7.745081   -2.152834
 6                   -1.858525    9.707494   -2.779699
 6                   -0.887392   10.697717   -2.669525
 1                   -0.980053   11.616433   -3.242050
 6                    0.467428   12.384283    0.374576
 1                   -0.244521   11.549740    0.368749
 1                    0.010717   13.203169   -0.201576
 6                    0.720570   12.830702    1.790964
 6                    1.479721   11.999778    2.653799
 6                    1.553470   12.383353    4.011551
 6                    0.956279   13.538480    4.504920
 1                    1.044388   13.802565    5.552634
 6                    0.250763   14.343801    3.611800
 6                    0.125619   14.004364    2.268099
 1                   -0.445494   14.641329    1.598037
13                    2.507111   10.203434    0.619139
 6                    2.642581    8.018816    2.511720
 8                    3.205428    8.619603    1.601059
 8                    3.268270    7.090392    3.237272
 8                    1.377484    8.208136    2.876213
 6                    1.204258    7.548633    4.187956
 6                    2.234141    6.421633    4.054819
 6                   -0.238801    7.140682    4.418200
 1                    1.528010    8.293437    4.925242
 6                    1.726968    5.187438    3.304562
 1                    2.704819    6.174371    5.009201
 6                   -0.667492    5.910314    3.609054
 1                   -0.879762    8.007641    4.218225
 1                   -0.330560    6.925362    5.493588
 6                    0.335087    4.763844    3.801188
 1                    2.460020    4.378708    3.399805
 1                    1.655064    5.435758    2.237288
 1                   -1.671951    5.602405    3.923922
 1                   -0.730124    6.172053    2.545355
 1                    0.380251    4.480004    4.864413
 1                    0.013537    3.872083    3.250581

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

