%chk=TS3-Solv.chk
%nprocshared=8
%mem=22GB
#p scrf=(solvent=1-hexanol) b97d3/gen pseudo=read nosymm

Int2-solv

-1 1
 Al                -5.84880300    2.80352900    3.66419500
 O                 -4.26216700    3.31518900    2.75897700
 O                 -5.34456800    3.63948800    5.23219600
 N                 -6.74428800    4.57253900    2.82582900
 O                 -7.48402800    2.17630500    4.22365100
 O                 -5.59439100    1.26019700    2.45515600
 C                 -6.22475800    4.36616800    5.90598000
 C                 -6.99051700    5.36562300    5.24498400
 C                 -7.99737900    6.06972600    5.90915300
 C                 -8.23553800    5.80349000    7.25235700
 C                 -7.46225400    4.89243100    7.96633200
 C                 -6.45611600    4.20607400    7.28958100
 C                 -6.61529700    5.70262100    3.82527800
 H                 -8.60510400    6.79730000    5.38011100
 H                 -7.64239300    4.70271600    9.01830900
 C                 -8.59880900    2.84654000    4.45843900
 C                 -9.40849100    2.56317100    5.58348200
 C                -10.59337700    3.23707900    5.86611500
 C                -11.00027900    4.24212200    4.99576900
 C                -10.23254400    4.59396000    3.89273200
 C                 -9.03979800    3.91538700    3.62971200
 H                -11.16524700    2.99501500    6.75440000
 H                -10.54354200    5.41704700    3.25465300
 C                 -8.18693200    4.37765900    2.47995400
 C                 -3.80067200    4.56160800    2.49515100
 C                 -2.56227100    5.04197400    2.94696500
 C                 -2.10692700    6.30387800    2.55623300
 C                 -2.93402600    7.09981600    1.77057300
 C                 -4.21441700    6.69812500    1.40275500
 C                 -4.64277300    5.42244400    1.77581600
 H                 -1.13104300    6.65008400    2.87537200
 H                 -4.86423300    7.36105100    0.83976000
 C                 -6.03957000    4.93720500    1.52722800
 C                 -6.17999400    0.06185600    2.23329900
 C                 -7.55933200   -0.07181600    1.93722300
 C                 -8.22918700   -1.29192700    1.90595200
 C                 -7.48545000   -2.45262100    2.05728800
 C                 -6.10477300   -2.39488500    2.13652000
 C                 -5.44046100   -1.15879600    2.21240400
 H                 -1.48405300   -1.59748300    1.71327000
 H                 -9.29735000   -1.32124000    1.72592300
 H                 -5.52741800   -3.31291000    2.17902000
 H                 -4.49701600   -0.69644600   -0.04786700
 Al                -3.63194900    1.65191900    2.05683700
 H                 -1.60402200   -0.29595100    2.92008300
 O                 -1.92827600    2.25904500    1.67188400
 N                 -3.15121000   -0.29210500    1.49679400
 O                 -4.31939600    2.04719300    0.32212100
 H                 -8.20402300    3.66501300    1.65537100
 C                 -0.94966700    1.69962000    1.00536200
 C                 -0.74315300    0.29401100    1.03159900
 C                  0.27573500   -0.30891200    0.29161400
 C                  1.10347000    0.48323700   -0.49704200
 C                  0.93573900    1.86365400   -0.57361200
 C                 -0.07836400    2.44849200    0.17920400
 C                 -1.69238300   -0.52662800    1.85172800
 H                  0.40876200   -1.38756100    0.31345400
 H                  1.56225000    2.47031800   -1.21730500
 C                 -3.56863600    1.80982500   -0.73378700
 C                 -3.25784800    2.79093100   -1.70032800
 C                 -2.37869900    2.56058200   -2.75393500
 C                 -1.81050900    1.29412000   -2.86976500
 C                 -2.11526800    0.26780500   -1.98255500
 C                 -2.99203300    0.52411200   -0.92596800
 H                 -2.12354700    3.35698400   -3.44340100
 H                 -1.64556000   -0.70491700   -2.09149800
 C                 -3.41199900   -0.56147400    0.03039700
 H                 -2.92631900   -1.51332700   -0.22738400
 H                 -5.56399800    5.99941800    3.81605700
 H                 -7.21192400    6.55068500    3.45900800
 H                 -8.57768300    5.33454100    2.10126100
 C                 -3.93327400   -1.27477800    2.30276300
 H                 -3.65828800   -2.28236700    1.95916300
 H                 -3.57551900   -1.20847500    3.33051900
 H                 -6.02239500    4.03521600    0.90501300
 H                 -6.62529000    5.71429000    1.01715200
 O                 -4.59577300    0.34181600    5.62190000
 C                 -4.79756300   -0.84274300    6.43888300
 C                 -5.62569400   -1.81052200    5.56551400
 H                 -3.81793900   -1.26625500    6.66647100
 C                 -7.11010300   -1.75892200    5.84364100
 H                 -7.66264000   -2.40173700    5.15067700
 H                 -7.39661000   -0.72276800    5.60641600
 C                 -5.55280000   -0.41817100    7.70023600
 H                 -4.83994700   -0.01821100    8.42933500
 H                 -6.22546300    0.40308000    7.43592000
 C                 -7.45923100   -2.07024600    7.31140600
 C                 -6.35338400   -1.59136400    8.28488900
 H                 -7.60901100   -3.15092000    7.42880900
 H                 -8.41393000   -1.58525000    7.55022100
 H                 -6.79608500   -1.29467500    9.24391000
 Cl                -9.59110700    6.64433500    8.08930400
 Cl                -5.43508100    3.07293900    8.21277100
 Cl               -12.52643600    5.13366200    5.33301500
 Cl                -8.85970600    1.32706100    6.75261600
 Cl                 2.40615600   -0.29709300   -1.47023800
 Cl                -0.33768400    4.21337900    0.04820800
 Cl                -3.97903100    4.42377900   -1.52989500
 Cl                -0.62269100    0.99358500   -4.19165300
 Cl                -2.34358900    8.71828800    1.25377200
 Cl                -1.57927200    4.11114300    4.08275800
 Cl                -8.31890900   -4.03936000    2.08640000
 Cl                -8.54033900    1.32217200    1.42080500
 H                 -5.66788100   -2.42261500    8.49885700
 H                 -5.41709400   -1.62544800    4.51909400
 I                 -4.85578200   -3.93859300    5.71068100
 C                 -3.43023800    0.37895500    4.86643200
 O                 -2.48613600   -0.37247300    5.08670900
 O                 -3.53931200    1.26387400    3.93857400

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


