%chk=Al-ephx-int2b-2_solv-hxnol.chk
%nprocshared=8
%mem=18GB
#p scrf=(solvent=1-Hexanol) m062x/gen pseudo=read nosymm

Al-ephx-int2b-2_solv-hxnol

-1 1
 7           0        1.542765   12.115901    0.020924
 8           0        3.289761    9.995648    0.036707
 8           0        0.683865    9.386254    0.574220
 8           0        0.807225   11.226158    2.590785
17           0        5.404865    8.374034   -1.196257
17           0        6.785350   13.067768   -3.581167
17           0       -1.641541    7.637753    0.989605
17           0       -3.910711   10.761652   -2.849992
17           0        1.261227   11.657550    5.525868
17           0        1.357426   16.905061    4.080543
 6           0        2.818869   12.856905   -0.188354
 1           0        3.185124   13.128448    0.807160
 1           0        2.594406   13.784829   -0.731520
 6           0        3.882900   12.093098   -0.939479
 6           0        4.067323   10.705949   -0.718274
 6           0        5.131660   10.107040   -1.426733
 6           0        5.964210   10.798183   -2.284684
 1           0        6.766916   10.288383   -2.799399
 6           0        5.735274   12.151521   -2.468304
 6           0        4.705931   12.798084   -1.812590
 1           0        4.545534   13.856973   -1.978271
 6           0        1.026908   11.551807   -1.261570
 1           0        1.792343   10.878095   -1.648484
 1           0        0.895288   12.372543   -1.978282
 6           0       -0.266105   10.790568   -1.104354
 6           0       -0.318950    9.711613   -0.187116
 6           0       -1.527099    8.988723   -0.144322
 6           0       -2.617448    9.288299   -0.939023
 1           0       -3.524183    8.703502   -0.869712
 6           0       -2.517471   10.356819   -1.814081
 6           0       -1.361138   11.109101   -1.901407
 1           0       -1.308635   11.937678   -2.597629
 6           0        0.527297   13.048448    0.584190
 1           0       -0.417146   12.501364    0.610118
 1           0        0.418672   13.901825   -0.097865
 6           0        0.849892   13.502948    1.975636
 6           0        0.931500   12.478332    2.943883
 6           0        1.144095   12.893496    4.268073
 6           0        1.275163   14.223272    4.627141
 1           0        1.447956   14.496274    5.658875
 6           0        1.193384   15.185961    3.635148
 6           0        0.985132   14.843443    2.311060
 1           0        0.914937   15.615062    1.553343
13           0        1.973915   10.494960    1.277662
 6           0        2.217765    7.971722    3.165390
 6           0        1.472462    8.366303    4.429804
 6           0        3.385826    7.014600    3.348336
 1           0        1.509927    7.578902    2.430174
 1           0        0.712923    9.112186    4.207255
 1           0        2.149407    8.719224    5.203346
53           0        0.403760    6.680588    5.291989
 1           0        4.013227    7.364486    4.172410
 1           0        2.972956    6.041755    3.633304
 8           0        2.659180    9.200026    2.558463
 6           0        3.586293   10.154904    3.155991
 8           0        3.465113   11.189749    2.433970
 8           0        4.235053    9.848712    4.109914
 6           0        4.223308    6.870226    2.079127
 1           0        3.573985    6.635857    1.226841
 1           0        4.695302    7.826793    1.835450
 6           0        5.293191    5.790410    2.226622
 1           0        5.909258    6.017478    3.103998
 1           0        4.809594    4.827538    2.428601
 6           0        6.184547    5.670894    0.992880
 1           0        6.715528    6.607169    0.807892
 1           0        6.924354    4.874615    1.107044
 1           0        5.587296    5.455250    0.102371

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    

