%chk=TS3-Solv.chk
%nprocshared=4
%mem=6GB
#p scrf=(solvent=1-hexanol) b97d3/gen pseudo=read nosymm

Int2-solv

-1 1
 Al                -5.82619300    2.80558400    3.66347200
 O                 -4.28867300    3.33498200    2.69068500
 O                 -5.23664400    3.61281300    5.21473000
 N                 -6.75078500    4.61442400    2.89081800
 O                 -7.45676600    2.20145200    4.26735200
 O                 -5.64538200    1.30695300    2.39443900
 C                 -6.09343500    4.33509800    5.95176500
 C                 -6.86757700    5.35194900    5.34099000
 C                 -7.82689200    6.04280200    6.08353100
 C                 -8.04375800    5.75873500    7.43670700
 C                 -7.22055600    4.79874200    8.04415700
 C                 -6.23883400    4.09394900    7.33790300
 C                 -6.56167900    5.71873700    3.91262400
 H                 -8.44314400    6.79156600    5.58475400
 H                 -7.36229100    4.57335700    9.10323700
 C                 -8.56358100    2.88702300    4.57490500
 C                 -9.30008900    2.54730300    5.73834200
 C                -10.46532800    3.25399100    6.04664700
 C                -10.94580000    4.30364300    5.25134900
 C                -10.19177000    4.65024700    4.12629900
 C                 -9.01792200    3.97236800    3.78385000
 H                -11.00352900    2.99039300    6.95903100
 H                -10.50271100    5.49811800    3.51271200
 C                 -8.21043200    4.45065900    2.61045700
 C                 -3.83012700    4.59902600    2.46016100
 C                 -2.60264500    5.05202000    2.97602700
 C                 -2.19902700    6.34590900    2.61535200
 C                 -2.98586800    7.19970500    1.82599100
 C                 -4.26045500    6.75865100    1.45010700
 C                 -4.68840600    5.46733100    1.77430100
 H                 -1.24013400    6.70763200    2.98892700
 H                 -4.93669200    7.42788200    0.91714900
 C                 -6.09702100    4.99868900    1.57201400
 C                 -6.27986800    0.11580700    2.16893100
 C                 -7.65865000    0.08123900    1.83918300
 C                 -8.32585000   -1.14610500    1.77165300
 C                 -7.66899700   -2.37085900    1.92475300
 C                 -6.28158500   -2.32201600    2.04976300
 C                 -5.57122000   -1.11462000    2.15864200
 H                 -1.65221400   -1.66923100    1.59437700
 H                 -9.39415700   -1.13625400    1.55016000
 H                 -5.71544800   -3.25239400    2.08032900
 H                 -4.65178500   -0.65329600   -0.09205900
 Al                -3.70828900    1.66857000    1.96001900
 H                 -1.71302800   -0.39577100    2.83567500
 O                 -1.95741300    2.19590400    1.68225800
 N                 -3.27058100   -0.30235200    1.43352900
 O                 -4.34710200    2.09961600    0.23016000
 H                 -8.28475500    3.76777100    1.76166100
 C                 -0.98391200    1.61880600    0.98257700
 C                 -0.84114100    0.21329000    0.96637000
 C                  0.16839300   -0.38611700    0.21105100
 C                  1.06267700    0.37956100   -0.54765000
 C                  0.90162400    1.77399800   -0.53057500
 C                 -0.09721000    2.41054200    0.21253000
 C                 -1.81782800   -0.59408700    1.76255100
 H                  0.24434900   -1.47547800    0.19959000
 H                  1.56767300    2.39021000   -1.13814300
 C                 -3.60146000    1.80314300   -0.83348300
 C                 -3.28005900    2.79333000   -1.79383700
 C                 -2.41691200    2.46001300   -2.84201400
 C                 -1.86829100    1.17541500   -2.98751800
 C                 -2.24154200    0.19538700   -2.06120700
 C                 -3.09714500    0.49064800   -0.99759800
 H                 -2.13454100    3.23945300   -3.55316500
 H                 -1.82404000   -0.80870700   -2.14370300
 C                 -3.56072400   -0.56495900   -0.03056800
 H                 -3.12187400   -1.54186500   -0.28308300
 H                 -5.51008200    6.00788600    3.85112200
 H                 -7.17119100    6.57898800    3.59480300
 H                 -8.60180100    5.42475100    2.27459300
 C                 -4.07131900   -1.25951800    2.25368000
 H                 -3.81115800   -2.27770200    1.92750000
 H                 -3.70322200   -1.17889600    3.27631100
 H                 -6.12026700    4.10450900    0.93815100
 H                 -6.69846500    5.79063800    1.10128500
 O                 -4.60137700    0.32571900    5.68593700
 C                 -4.74746400   -0.91388000    6.41856000
 C                 -5.59395200   -1.83106800    5.50877600
 H                 -3.75444900   -1.33765000    6.58101700
 C                 -7.07318900   -1.76018800    5.80173100
 H                 -7.64527700   -2.34546900    5.07517600
 H                 -7.32606400   -0.70650700    5.61122100
 C                 -5.46079500   -0.59239700    7.73856100
 H                 -4.72176500   -0.27182200    8.48189000
 H                 -6.12658900    0.25996600    7.56749400
 C                 -7.42302800   -2.14153200    7.25428000
 C                 -6.28324600   -1.78676300    8.24136900
 H                 -7.62979500   -3.21787200    7.30790400
 H                 -8.34639200   -1.62135600    7.54128000
 H                 -6.69835500   -1.56251600    9.23243100
 H                 -5.62125500   -2.65352100    8.36580800
 H                 -5.39409500   -1.61146000    4.46675000
 I                 -4.87348500   -3.98390400    5.56732000
 C                 -3.47792500    0.41455300    4.84214900
 O                 -2.50426900   -0.31089500    5.01414800
 O                 -3.67703100    1.30207000    3.94015600
 C                 -0.30392200    3.90035500    0.17471000
 H                 -1.31232200    4.13267300   -0.18708200
 H                 -0.22988800    4.34367700    1.17567700
 H                  0.42802000    4.38476100   -0.48337800
 C                 -1.81183000    4.20883700    3.93789300
 H                 -1.33269500    3.37595400    3.41516600
 H                 -1.05164000    4.81592700    4.44367900
 H                 -2.48755000    3.77221300    4.68168200
 C                 -3.84228600    4.17997400   -1.61875000
 H                 -4.93716100    4.18108900   -1.72784800
 H                 -3.63706200    4.55975900   -0.61086500
 H                 -3.42072000    4.87584500   -2.35477500
 C                 -2.47619300    8.56136400    1.41346200
 H                 -3.30280100    9.24730400    1.18963400
 H                 -1.86085500    9.01464300    2.20131000
 H                 -1.85144700    8.49269100    0.51042100
 C                 -5.33733400    3.08618900    8.00203300
 H                 -5.09044600    2.27975500    7.30704000
 H                 -4.38315900    3.54961400    8.29666500
 H                 -5.80014400    2.66869300    8.90527700
 C                 -9.17794900    6.41048900    8.19172600
 H                -10.11303600    5.84669000    8.05166700
 H                 -8.97464400    6.45391600    9.26971800
 H                 -9.36093600    7.43450400    7.83970900
 C                -12.21931500    5.03906900    5.59971200
 H                -13.08760200    4.63516900    5.05586500
 H                -12.44148200    4.96259100    6.67158400
 H                -12.14596000    6.10566400    5.34872800
 C                 -8.77944600    1.46290700    6.63823100
 H                 -8.96288800    0.46911000    6.20814200
 H                 -7.69659300    1.56628800    6.75839400
 H                 -9.25566900    1.50375800    7.62477200
 C                 -8.40448500    1.32592300    1.45451500
 H                 -8.87825300    1.80112000    2.31688700
 H                 -7.71274500    2.03370800    0.98768800
 H                 -9.18684100    1.08220600    0.72544900
 C                 -8.41686100   -3.68228100    1.91875700
 H                 -8.79412500   -3.92780100    2.92279600
 H                 -9.28182300   -3.64848700    1.24366600
 H                 -7.76853000   -4.50931400    1.60501400
 C                 -0.83737200    0.88265800   -4.05205000
 H                 -0.97673500    1.51838000   -4.93661400
 H                  0.17911700    1.06234000   -3.66950900
 H                 -0.88039200   -0.16519200   -4.37800500
 C                  2.16662100   -0.27429600   -1.34723600
 H                  2.50498000    0.37660400   -2.16380700
 H                  3.04647000   -0.50197400   -0.72465600
 H                  1.83146600   -1.22095300   -1.79254200

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        
****
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        
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


