%chk=Al-ephx-int2b-2_solv-hxnol.chk
%nprocshared=8
%mem=18GB
#p scrf=(solvent=1-Hexanol) b3lyp/gen pseudo=read nosymm

Al-ephx-int2b-2_solv-hxnol

-1 1
 7                    1.581009   12.203742    0.051157
 8                    3.352233   10.104888    0.030844
 8                    0.744910    9.470580    0.657393
 8                    0.947098   11.332009    2.687642
17                    5.468234    8.488302   -1.316079
17                    6.862475   13.292015   -3.534284
17                   -1.484212    7.517559    0.903468
17                   -3.739726   10.529957   -3.073955
17                    1.037797   11.878737    5.682621
17                    0.809759   17.100125    4.069980
 6                    2.850649   12.970177   -0.168912
 1                    3.208834   13.258142    0.823659
 1                    2.610846   13.892832   -0.714067
 6                    3.933639   12.225653   -0.918383
 6                    4.127235   10.829424   -0.722782
 6                    5.191002   10.251397   -1.458269
 6                    6.025586   10.970962   -2.296126
 1                    6.825518   10.475697   -2.827902
 6                    5.798191   12.331447   -2.439298
 6                    4.760484   12.957145   -1.771550
 1                    4.592453   14.018461   -1.911601
 6                    1.062107   11.638246   -1.240432
 1                    1.859306   11.029584   -1.663394
 1                    0.874144   12.468534   -1.933161
 6                   -0.188154   10.798915   -1.106655
 6                   -0.222721    9.717595   -0.181142
 6                   -1.380183    8.905866   -0.219239
 6                   -2.440858    9.130094   -1.081250
 1                   -3.304780    8.480947   -1.064541
 6                   -2.365706   10.207891   -1.950599
 6                   -1.258602   11.038570   -1.969538
 1                   -1.219008   11.868308   -2.665004
 6                    0.539450   13.121509    0.611808
 1                   -0.395417   12.556852    0.599481
 1                    0.424239   13.974609   -0.069682
 6                    0.789323   13.598601    2.013169
 6                    0.908903   12.598222    3.013344
 6                    0.947576   13.064198    4.344902
 6                    0.919178   14.410664    4.676412
 1                    0.967379   14.717273    5.711637
 6                    0.836900   15.344945    3.655336
 6                    0.766733   14.955013    2.327808
 1                    0.674168   15.699151    1.545728
13                    2.063541   10.571982    1.335632
 6                    2.387499    8.021270    3.299232
 6                    1.781377    8.428632    4.638313
 6                    3.544845    7.029417    3.378536
 1                    1.601282    7.645263    2.642037
 1                    1.053078    9.221948    4.508558
 1                    2.533901    8.707515    5.368598
53                    0.643669    6.786952    5.584746
 1                    4.355403    7.489047    3.949469
 1                    3.193466    6.165014    3.951548
 8                    2.796726    9.253298    2.632906
 6                    3.784228   10.232375    3.168580
 8                    3.615827   11.250920    2.435389
 8                    4.490876    9.942126    4.090552
 6                    4.053206    6.562047    2.011299
 1                    3.227573    6.100968    1.453830
 1                    4.373645    7.424090    1.419543
 6                    5.205170    5.557202    2.132415
 1                    6.028698    6.021597    2.688502
 1                    4.876758    4.700448    2.735472
 6                    5.723457    5.058894    0.780288
 1                    6.108142    5.886866    0.178933
 1                    6.530879    4.330274    0.905183
 1                    4.925704    4.577728    0.205144
   
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    

