%chk=Al-ephx-int2b-1_solv-hxnol.chk
%nprocshared=8
%mem=18GB
#p scrf=(solvent=1-Hexanol) wb97xd/gen pseudo=read nosymm

Al-ephx-int2b-1_solv-hxnol

-1 1
 7           0        1.594783   11.917980   -0.255617
 8           0        3.511264    9.908904   -0.334085
 8           0        0.483838    9.393508   -0.624760
 8           0        1.681113   10.510756    2.117651
17           0        5.711032    8.658628   -1.855021
17           0        6.894337   13.800975   -3.182513
17           0       -1.949582    7.797415   -1.175226
17           0       -3.313778   12.060864   -4.259547
17           0        2.340087   10.539791    4.995752
17           0        0.360622   15.604071    4.765133
 6           0        2.855461   12.661419   -0.040750
 1           0        3.118190   12.558943    1.015004
 1           0        2.685727   13.731571   -0.230965
 6           0        3.993678   12.172048   -0.890863
 6           0        4.249556   10.785328   -0.949142
 6           0        5.350690   10.383209   -1.728659
 6           0        6.159135   11.279412   -2.403065
 1           0        6.995948   10.924444   -2.988633
 6           0        5.866705   12.628352   -2.314334
 6           0        4.792573   13.080805   -1.573628
 1           0        4.577533   14.141712   -1.521447
 6           0        1.252701   11.912158   -1.693373
 1           0        2.049202   11.377139   -2.216612
 1           0        1.251327   12.944619   -2.073758
 6           0       -0.065758   11.260448   -1.995656
 6           0       -0.335126    9.990746   -1.442640
 6           0       -1.552781    9.393477   -1.818306
 6           0       -2.458110   10.000731   -2.669130
 1           0       -3.383152    9.502846   -2.925036
 6           0       -2.153733   11.252176   -3.171498
 6           0       -0.972012   11.886412   -2.842230
 1           0       -0.750704   12.866227   -3.248806
 6           0        0.497427   12.540091    0.515743
 1           0       -0.381935   11.899878    0.404258
 1           0        0.246429   13.514503    0.070863
 6           0        0.807125   12.718789    1.974624
 6           0        1.371087   11.638750    2.685763
 6           0        1.605464   11.847053    4.057301
 6           0        1.300981   13.031498    4.701738
 1           0        1.496811   13.144693    5.758971
 6           0        0.750867   14.060852    3.959853
 6           0        0.509805   13.918822    2.607129
 1           0        0.085811   14.741457    2.043377
13           0        1.889421    9.769479    0.464194
 6           0       -0.490355    7.219981    3.188773
 6           0        0.150819    7.443180    4.555223
 6           0       -0.812642    5.759031    2.883970
 1           0       -1.411669    7.805680    3.133268
 1           0        0.526228    8.458782    4.643721
 1           0        0.933687    6.723610    4.768230
53           0       -1.294665    7.244174    6.184404
 1           0        0.104482    5.173680    2.975678
 1           0       -1.514907    5.405908    3.647554
 8           0        0.325274    7.837439    2.190982
 6           0        1.608526    7.385770    1.992839
 8           0        2.207897    8.081290    1.097070
 8           0        2.059006    6.445152    2.606111
 6           0       -1.419653    5.569870    1.499289
 1           0       -2.335376    6.169089    1.413321
 1           0       -0.730908    5.964568    0.746700
 6           0       -1.737235    4.111885    1.180999
 1           0       -2.428069    3.713618    1.935028
 1           0       -0.817576    3.520766    1.262171
 6           0       -2.338743    3.935065   -0.211076
 1           0       -2.546814    2.883648   -0.430455
 1           0       -3.277076    4.491010   -0.305266
 1           0       -1.656390    4.312559   -0.978343

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    

