%chk=Al-ephx-int2b-2_solv-hxnol.chk
%nprocshared=8
%mem=18GB
#p scrf=(solvent=1-Hexanol) wb97xd/gen pseudo=read nosymm

Al-ephx-int2b-2_solv-hxnol

-1 1
 7           0        1.570257   12.149010    0.028210
 8           0        3.359652   10.068098    0.048812
 8           0        0.765534    9.409326    0.603171
 8           0        0.873566   11.259877    2.617038
17           0        5.479280    8.468088   -1.234812
17           0        6.779162   13.202204   -3.589341
17           0       -1.515817    7.592876    1.014451
17           0       -3.858374   10.670643   -2.825295
17           0        1.171387   11.750153    5.580663
17           0        1.147035   16.972732    4.055116
 6           0        2.830249   12.910324   -0.184615
 1           0        3.194670   13.190635    0.808679
 1           0        2.591143   13.837053   -0.724184
 6           0        3.907208   12.168653   -0.936026
 6           0        4.117816   10.785131   -0.715551
 6           0        5.182940   10.203901   -1.436301
 6           0        5.998367   10.913078   -2.295282
 1           0        6.804908   10.417753   -2.818026
 6           0        5.749567   12.262247   -2.472128
 6           0        4.712429   12.888518   -1.810786
 1           0        4.530451   13.944763   -1.972791
 6           0        1.060263   11.572194   -1.248239
 1           0        1.840520   10.923424   -1.645725
 1           0        0.902310   12.388153   -1.965668
 6           0       -0.209602   10.776638   -1.086317
 6           0       -0.238621    9.700367   -0.165107
 6           0       -1.427699    8.946986   -0.123423
 6           0       -2.523898    9.220740   -0.918324
 1           0       -3.417532    8.616236   -0.845451
 6           0       -2.449836   10.289113   -1.794442
 6           0       -1.311228   11.066240   -1.882649
 1           0       -1.276295   11.895582   -2.579604
 6           0        0.538295   13.061146    0.586194
 1           0       -0.398729   12.500769    0.596462
 1           0        0.416823   13.913179   -0.096319
 6           0        0.826031   13.527377    1.979605
 6           0        0.925457   12.516387    2.960905
 6           0        1.065182   12.955228    4.287695
 6           0        1.134195   14.293397    4.630744
 1           0        1.257962   14.584089    5.664808
 6           0        1.054690   15.241127    3.626580
 6           0        0.900212   14.874168    2.302752
 1           0        0.824376   15.631346    1.530963
13           0        2.042912   10.531982    1.305340
 6           0        2.272724    8.001068    3.181612
 6           0        1.536317    8.395018    4.452512
 6           0        3.417590    7.016446    3.348429
 1           0        1.554351    7.633713    2.444176
 1           0        0.818033    9.182535    4.241429
 1           0        2.219164    8.696425    5.242209
53           0        0.362106    6.752027    5.268500
 1           0        4.121968    7.414271    4.083801
 1           0        2.999912    6.090552    3.757685
 8           0        2.737412    9.226591    2.583301
 6           0        3.671447   10.182311    3.181382
 8           0        3.542592   11.215592    2.463537
 8           0        4.329180    9.879192    4.131345
 6           0        4.136796    6.722315    2.035196
 1           0        3.413528    6.358951    1.294236
 1           0        4.547421    7.647577    1.620456
 6           0        5.250824    5.692723    2.208707
 1           0        5.959324    6.056272    2.962719
 1           0        4.825868    4.763787    2.610057
 6           0        5.996965    5.397417    0.910674
 1           0        6.477273    6.300664    0.525455
 1           0        6.769809    4.636449    1.055155
 1           0        5.309119    5.037887    0.138894

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    

