%chk=cat2Al-cho-ts1b_solv-hxnol.chk
%nprocshared=8
%mem=18GB
#p SCRF=(Solvent=1-Hexanol) b97d3/gen pseudo=read nosymm 

cat2Al-cho-ts1b_solv-hxnol

-1 1
13                   -4.707626    7.736423   -0.535914
 7                   -6.212492    9.220556   -1.000300
 8                   -4.024909    8.991738    0.618248
 8                   -5.896457    6.729484    0.415461
 8                   -3.048024    6.763088   -0.295507
 8                   -4.693776    7.295974   -2.319505
 6                   -4.083340   10.292707    0.768983
 6                   -3.392761   10.928059    1.831773
 6                   -3.401174   12.306598    2.016151
 6                   -4.139792   13.086667    1.127742
 6                   -4.858048   12.518330    0.082115
 6                   -4.825989   11.131093   -0.103550
17                   -2.458858    9.911672    2.958135
 1                   -2.847676   12.754370    2.833779
17                   -4.173819   14.872630    1.354640
 1                   -5.431621   13.149069   -0.591937
17                   -7.150443    4.254552    1.581121
 6                   -5.031207    7.964124   -3.404075
 6                   -6.209826    8.753190   -3.444002
 6                   -6.573253    9.471787   -4.586648
 6                   -5.761881    9.405284   -5.714682
 6                   -4.584392    8.661168   -5.723674
 6                   -4.232298    7.958151   -4.572812
 6                   -7.108971    9.366950    0.185261
 1                   -7.475095   10.078191   -4.593923
17                   -6.226842   10.323326   -7.192104
 1                   -3.942145    8.634426   -6.596728
17                   -2.694922    7.055531   -4.575551
 6                   -7.178291    6.883172    0.702845
 6                   -7.871292    8.116360    0.532500
 6                   -9.245496    8.219975    0.778551
 6                   -9.950129    7.115919    1.240801
 6                   -9.312171    5.903436    1.480331
 6                   -7.947945    5.808622    1.216631
 6                   -5.529276   10.524787   -1.289709
 1                   -9.754697    9.167663    0.625496
17                  -11.717903    7.255061    1.549153
 1                   -9.854329    5.046254    1.862901
 6                   -7.031290    8.811331   -2.189708
 1                   -7.453238    7.827678   -1.953195
 1                   -7.866349    9.519078   -2.306519
 1                   -6.272796   11.235170   -1.683826
 1                   -6.476429    9.657128    1.029599
 1                   -7.811909   10.194184    0.000602
 1                   -4.814766   10.329625   -2.099112
 6                   -1.922762    7.467038   -0.523838
 8                   -0.845027    7.237901   -0.030618
13                    0.601307    3.706332    0.017861
 7                    2.695414    4.117635    0.699547
 8                    0.070222    4.391791    1.649272
 8                    1.058587    4.769754   -1.416329
 8                   -1.094970    3.426883   -0.645440
 8                    1.069312    1.939138    0.001586
 6                    0.632093    4.967195    2.691388
 6                   -0.108566    5.798796    3.569024
 6                    0.465897    6.454074    4.655228
 6                    1.824705    6.270669    4.895833
 6                    2.600241    5.447786    4.087643
 6                    2.006823    4.790492    3.004837
17                   -1.858400    6.026899    3.294604
 1                   -0.138143    7.092844    5.289485
17                    2.590592    7.123786    6.287575
 1                    3.657583    5.310888    4.298631
17                    0.752177    5.498287   -4.287843
 6                    2.134401    1.217090    0.254408
 6                    3.446477    1.765918    0.274474
 6                    4.562021    0.974318    0.567977
 6                    4.391439   -0.380513    0.828528
 6                    3.130267   -0.971558    0.818100
 6                    2.028113   -0.168749    0.537205
 6                    3.054972    5.546847    0.444900
 1                    5.555531    1.414359    0.588557
17                    5.832562   -1.399841    1.202718
 1                    3.000262   -2.026962    1.029790
17                    0.406843   -0.917333    0.544364
 6                    2.046954    5.510064   -1.850632
 6                    3.118618    5.911780   -1.011395
 6                    4.169187    6.692289   -1.502419
 6                    4.151427    7.108362   -2.830203
 6                    3.117487    6.753527   -3.694381
 6                    2.092402    5.957740   -3.193566
 6                    2.813656    3.842746    2.162756
 1                    4.983118    6.991592   -0.847177
17                    5.482385    8.154033   -3.444966
 1                    3.097395    7.095087   -4.722418
 6                    3.622182    3.222291   -0.058649
 1                    3.424953    3.393974   -1.123070
 1                    4.662554    3.528921    0.137014
 1                    3.875213    3.888171    2.456212
 1                    2.294031    6.156919    0.946608
 1                    4.021117    5.765990    0.928421
 1                    2.472976    2.813172    2.320562
 6                   -2.543447    4.902249   -0.003744
 6                   -1.814235    4.487557   -1.252907
 1                   -1.895835    5.202675    0.809497
 6                   -3.807414    4.208836    0.360352
 1                   -1.147270    5.272995   -1.623275
 6                   -2.705374    3.996785   -2.389456
 1                   -2.055471    3.518220   -3.132257
 1                   -3.163992    4.874470   -2.861846
 6                   -3.797567    3.046306   -1.893465
 1                   -3.458156    3.333102    0.932893
 6                   -4.656720    3.750160   -0.835026
 1                   -4.377811    4.820261    1.065649
 1                   -3.329657    2.150287   -1.463191
 1                   -4.426843    2.719366   -2.732991
 1                   -5.456827    3.095663   -0.472012
 1                   -5.146564    4.624225   -1.284659
 8                   -2.215353    8.433885   -1.430546
 6                   -1.267841    9.410258   -2.007638
 6                    0.090578    8.800628   -2.402572
 6                   -1.152494   10.663782   -1.140329
 1                   -1.813697    9.649748   -2.921377
 6                    1.223633    8.896192   -1.390637
 1                   -0.035709    7.797513   -2.807630
53                    0.722589    9.912930   -4.286913
 6                   -0.116066   10.545154   -0.017643
 1                   -2.143969   10.912084   -0.751267
 1                   -0.858326   11.481133   -1.814888
 6                    1.260057   10.216479   -0.612931
 1                    2.177294    8.704032   -1.887010
 1                    1.052624    8.075841   -0.687469
 1                   -0.080792   11.489128    0.542167
 1                   -0.417011    9.764913    0.690506
 1                    1.575735   11.032943   -1.280160
 1                    2.016856   10.140146    0.178857

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    

