%chk=cat_AlTPh2_solv-hxnol.chk
%nprocshared=8
%mem=18GB
#p SCRF=(Solvent=1-Hexanol) wb97xd/gen pseudo=read nosymm

Al-complex-PO1_solv-hxnol

0 1
13           0        1.943305   10.813145    1.338027
 7           0        1.491660   12.202588   -0.059531
 8           0        3.671342   10.666888    1.040698
 8           0        0.911400    9.504869    0.776059
 8           0        1.440934   11.687595    2.779651
17           0        5.880698    8.812055    0.415785
17           0        6.329287   11.826322   -4.086078
17           0       -1.218178    7.599376    1.507867
17           0       -4.028603   10.188973   -2.357159
17           0        2.217589   12.678646    5.447129
17           0        1.142660   17.548533    3.283814
 6           0        2.748823   12.922279   -0.429521
 1           0        3.080774   13.451419    0.468344
 1           0        2.508930   13.675100   -1.188598
 6           0        3.845513   12.014038   -0.921781
 6           0        4.267650   10.941370   -0.115556
 6           0        5.339830   10.166308   -0.568470
 6           0        5.977432   10.426571   -1.768244
 1           0        6.800959    9.805593   -2.092923
 6           0        5.531458   11.484565   -2.541218
 6           0        4.474361   12.276110   -2.134210
 1           0        4.147603   13.101695   -2.754898
 6           0        0.914600   11.506044   -1.249986
 1           0        1.710207   10.878024   -1.660763
 1           0        0.662435   12.258411   -2.005515
 6           0       -0.291026   10.659207   -0.932702
 6           0       -0.196221    9.665383    0.058074
 6           0       -1.308383    8.844375    0.268585
 6           0       -2.475162    8.988912   -0.460276
 1           0       -3.319050    8.339652   -0.271461
 6           0       -2.538458    9.983130   -1.421027
 6           0       -1.464543   10.818826   -1.661992
 1           0       -1.536636   11.585671   -2.423798
 6           0        0.496260   13.153337    0.522495
 1           0       -0.415250   12.577820    0.707836
 1           0        0.259192   13.913048   -0.230663
 6           0        0.952312   13.809473    1.799850
 6           0        1.364219   13.011000    2.882385
 6           0        1.692764   13.654019    4.080105
 6           0        1.624843   15.028841    4.217799
 1           0        1.886929   15.496069    5.157092
 6           0        1.226377   15.785329    3.129424
 6           0        0.893954   15.193250    1.926169
 1           0        0.577739   15.807591    1.091786
   
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

