%chk=Al-ephx-int1-b_solv-hxnol.chk
%nprocshared=8
%mem=18GB
#p scrf=(solvent=1-Hexanol) wb97xd/gen pseudo=read nosymm

Al-ephx-int1-b_solv-hxnol

-1 1
 7                    1.526391   11.976291    0.135879
 8                    3.531886   10.114443    0.676482
 8                    0.513304    9.537163    1.068968
 8                    1.923708   11.711208    2.877250
17                    5.519486    8.238547   -0.462753
17                    6.105672   12.127454   -4.225114
17                   -1.895418    7.953407    1.725752
17                   -4.026032   10.582193   -2.538803
17                    3.059869   12.938786    5.313599
17                    1.195212   17.551350    3.102511
 6                    2.770062   12.690937   -0.217285
 1                    3.212622   13.058412    0.712257
 1                    2.525936   13.572897   -0.829657
 6                    3.769917   11.836731   -0.942469
 6                    4.097783   10.576736   -0.398153
 6                    5.073039    9.832348   -1.087629
 6                    5.691172   10.286571   -2.238290
 1                    6.433640    9.677823   -2.735626
 6                    5.329329   11.525432   -2.734729
 6                    4.374655   12.299319   -2.103574
 1                    4.101661   13.264766   -2.513218
 6                    0.950947   11.343156   -1.066960
 1                    1.667844   10.597886   -1.420347
 1                    0.844228   12.095596   -1.863777
 6                   -0.371631   10.677363   -0.820802
 6                   -0.473767    9.768140    0.252662
 6                   -1.710714    9.115161    0.404650
 6                   -2.788958    9.343953   -0.430686
 1                   -3.722845    8.822436   -0.272953
 6                   -2.642743   10.257882   -1.458187
 6                   -1.450273   10.925715   -1.659361
 1                   -1.356741   11.637815   -2.470854
 6                    0.551656   12.920083    0.719676
 1                   -0.312643   12.336173    1.047816
 1                    0.198569   13.613236   -0.059533
 6                    1.096723   13.702417    1.879442
 6                    1.747912   12.997355    2.913600
 6                    2.215667   13.764397    3.997421
 6                    2.051904   15.135497    4.072017
 1                    2.428665   15.683980    4.924334
 6                    1.407496   15.779744    3.031341
 6                    0.936484   15.080894    1.936723
 1                    0.442647   15.605916    1.127371
13                    2.039235   10.315051    1.718264
 8                    2.455259    9.102227    2.947725
 6                    2.978561    7.836558    2.728308
 6                    1.785642    6.894365    2.876218
 6                    4.100045    7.576394    3.731664
 1                    3.390252    7.730998    1.711880
 1                    0.988624    7.182508    2.197071
 1                    1.423245    6.864430    3.901922
53                    2.210437    4.795443    2.360771
 1                    3.665724    7.615077    4.739631
 1                    4.511094    6.570682    3.585840
 6                    5.204160    8.621103    3.612050
 1                    5.624042    8.589282    2.599251
 1                    4.749413    9.609362    3.728758
 6                    6.321342    8.444802    4.636275
 1                    6.773816    7.451330    4.522620
 1                    5.891929    8.473737    5.645407
 6                    7.402300    9.516178    4.511915
 1                    8.191039    9.389452    5.260215
 1                    7.868317    9.484895    3.521911
 1                    6.971250   10.513816    4.641119
  
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        
****
I     0 
S   2   1.00
      0.7242000             -2.9731048        
      0.4653000              3.4827643        
S   1   1.00
      0.1336000              1.0000000        
P   2   1.00
      1.2900000             -0.2092377        
      0.3180000              1.1035347        
P   1   1.00
      0.1053000              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        
I     0
I-ECP     3     46
f   potential
  5
0      1.0715702             -0.0747621        
1     44.1936028            -30.0811224        
2     12.9367609            -75.3722721        
2      3.1956412            -22.0563758        
2      0.8589806             -1.6979585        
s-f potential
  5
0    127.9202670              2.9380036        
1     78.6211465             41.2471267        
2     36.5146237            287.8680095        
2      9.9065681            114.3758506        
2      1.9420086             37.6547714        
p-f potential
  5
0     13.0035304              2.2222630        
1     76.0331404             39.4090831        
2     24.1961684            177.4075002        
2      6.4053433             77.9889462        
2      1.5851786             25.7547641        
d-f potential
  5
0     40.4278108              7.0524360        
1     28.9084375             33.3041635        
2     15.6268936            186.9453875        
2      4.1442856             71.9688361        
2      0.9377235              9.3630657    

