%chk=Int2-solv.chk
%nprocshared=4
%mem=6GB
#p scrf=(solvent=1-hexanol) b97d3/gen pseudo=read nosymm

IC-p-solv

-1 1
 Al                -5.58921900    2.59186100    4.46289300
 O                 -4.11513600    2.69499300    3.29247500
 O                 -5.20741300    3.85361600    5.74437600
 N                 -6.47747200    4.12344900    3.12762200
 O                 -7.30439200    2.08789200    4.92701300
 O                 -5.44157500    0.49511100    2.44136200
 C                 -6.20848400    4.61122600    6.23122400
 C                 -7.07756200    5.30119200    5.34508200
 C                 -8.18920300    5.98032500    5.84249600
 C                 -8.46014300    6.03492600    7.21627800
 C                 -7.54289500    5.43052500    8.08364700
 C                 -6.41987600    4.72621000    7.62448300
 C                 -6.71109400    5.40502700    3.88755600
 H                 -8.87274100    6.45585100    5.13903000
 H                 -7.71500400    5.48509000    9.16074400
 C                 -8.49114900    2.71850900    4.80292800
 C                 -9.43605100    2.73228100    5.86226900
 C                -10.66505600    3.37124400    5.66201800
 C                -11.00949300    4.02133800    4.47025600
 C                -10.04430300    4.04672700    3.46098200
 C                 -8.80777400    3.41379900    3.61482700
 H                -11.37354200    3.38496800    6.49207800
 H                -10.24183300    4.59013600    2.53552800
 C                 -7.75111700    3.57462300    2.56960600
 C                 -3.53218200    3.95160100    3.11580000
 C                 -2.31410400    4.29807000    3.72071200
 C                 -1.82242100    5.58682800    3.47501400
 C                 -2.49274200    6.51950200    2.66920300
 C                 -3.72996100    6.15231400    2.13139100
 C                 -4.25504500    4.87502600    2.36138400
 H                 -0.87045400    5.86724800    3.92734300
 H                 -4.30259800    6.86359600    1.53553800
 C                 -5.62264800    4.45189000    1.93127400
 C                 -5.96422500   -0.68559000    2.07238000
 C                 -7.37644000   -0.88112800    2.02933700
 C                 -7.90023600   -2.13411800    1.69418500
 C                 -7.10066300   -3.23288200    1.36199700
 C                 -5.72106600   -3.02876900    1.37951400
 C                 -5.14976000   -1.80331700    1.74097500
 H                 -1.25640400   -1.72354900    0.92902300
 H                 -8.98623100   -2.24632500    1.68671000
 H                 -5.05269900   -3.85488400    1.13111600
 H                 -4.48932800   -0.83133200   -0.33468800
 Al                -3.71030700    1.20740200    2.02625400
 H                 -1.36970900   -0.70640100    2.38812300
 O                 -2.02569800    1.99426600    1.74575000
 N                 -3.03008700   -0.57779700    1.13044200
 O                 -4.42099400    1.91550700    0.41934500
 H                 -7.47768100    2.62933700    2.09358300
 C                 -1.06280000    1.68418400    0.88676500
 C                 -0.73874900    0.33209200    0.61616200
 C                  0.26135000    0.00678100   -0.30011100
 C                  0.97191700    0.99906900   -0.98755700
 C                  0.63443600    2.33441600   -0.72297500
 C                 -0.35797000    2.70056500    0.19232400
 C                 -1.53961900   -0.72771200    1.30626900
 H                  0.46773000   -1.04633900   -0.50445700
 H                  1.15023100    3.12661400   -1.26993800
 C                 -3.75057200    1.83539500   -0.73381900
 C                 -3.63651800    2.95847800   -1.59198200
 C                 -2.84813600    2.86099700   -2.74287700
 C                 -2.17702600    1.68303100   -3.10034300
 C                 -2.36371800    0.56138600   -2.28693600
 C                 -3.14156500    0.61673000   -1.12832600
 H                 -2.73311300    3.74796100   -3.36969100
 H                 -1.86163500   -0.37358500   -2.53822000
 C                 -3.41220600   -0.62834500   -0.32621700
 H                 -2.90409400   -1.49350400   -0.78012400
 H                 -5.76151900    5.94690500    3.82887400
 H                 -7.47127400    5.98967200    3.34781400
 H                 -8.11323600    4.25460200    1.78223700
 C                 -3.65554400   -1.73978500    1.84242200
 H                 -3.22483000   -2.66664800    1.43136400
 H                 -3.34662500   -1.66641000    2.88902400
 H                 -5.56212100    3.55624100    1.30481600
 H                 -6.12038800    5.25018600    1.35978000
 O                 -4.73645200    0.99105700    5.24005000
 C                 -5.31160600    0.02447000    6.16559100
 C                 -6.25533500   -0.92236100    5.40735700
 H                 -4.46744000   -0.55221400    6.54419600
 C                 -7.62223400   -1.07391400    6.03564800
 H                 -8.18451000   -1.85628100    5.51455800
 H                 -8.12793100   -0.12274100    5.82709200
 C                 -5.95990400    0.69303700    7.36702000
 H                 -5.18350300    1.25117000    7.89850400
 H                 -6.70561300    1.40615100    7.02286200
 C                 -7.55735600   -1.33880400    7.54610600
 C                 -6.58502900   -0.37056900    8.28688600
 H                 -7.22784700   -2.37369100    7.69696700
 H                 -8.56880100   -1.26540100    7.96661500
 H                 -7.10569800    0.13755500    9.10872500
 H                 -5.77661100   -0.95516300    8.74759600
 H                 -6.31885500   -0.64277800    4.36296000
 C                 -3.16401000    0.53738100    4.95484900
 O                 -2.55226100    0.39002300    5.97351900
 O                 -2.96887500    0.40073600    3.74466100
 C                 -5.45718400    4.08595000    8.59526000
 H                 -5.19615400    4.78360900    9.40254700
 H                 -5.89176600    3.19131200    9.06365400
 H                 -4.54426700    3.77953200    8.07782400
 C                 -9.11341500    2.18513900    7.22748600
 H                 -8.94182000    1.10470900    7.22112400
 H                 -8.21219500    2.66601000    7.62216200
 H                 -9.93592500    2.39136600    7.92206200
 C                 -9.72259600    6.68786800    7.72821200
 H                -10.59726000    6.04430000    7.54893700
 H                 -9.66512200    6.87936900    8.80707600
 H                 -9.91772900    7.64463300    7.22448600
 C                -12.35906200    4.67796100    4.29690500
 H                -13.13413200    3.94583200    4.02307100
 H                -12.68712200    5.16702100    5.22383100
 H                -12.33316400    5.43792700    3.50586000
 C                 -8.32387900    0.24093000    2.34142900
 H                 -8.00333700    0.79705700    3.22229400
 H                 -8.38163400    0.94754400    1.50225000
 H                 -9.33549700   -0.14019500    2.52277900
 C                 -1.56663000    3.33207300    4.59197800
 H                 -2.17930200    3.02070200    5.44518100
 H                 -1.30747600    2.43882000    4.01639900
 H                 -0.64845000    3.78910000    4.97762100
 C                 -0.72943600    4.13829900    0.42867300
 H                 -1.81732600    4.25526900    0.44186800
 H                 -0.37755100    4.48915800    1.40780500
 H                 -0.30689200    4.78876600   -0.34721500
 C                 -7.70039900   -4.58359800    1.04929400
 H                 -8.66110800   -4.48586000    0.52642600
 H                 -7.03118300   -5.18067300    0.41651800
 H                 -7.88533100   -5.16250600    1.96742200
 C                 -4.33547600    4.24323900   -1.23503900
 H                 -5.41176600    4.08070700   -1.08780400
 H                 -3.94739500    4.65864500   -0.29754100
 H                 -4.20193000    4.99342900   -2.02435700
 C                 -1.22288300    1.64774400   -4.27005600
 H                 -1.51676800    2.35787200   -5.05465600
 H                 -0.20363400    1.91083800   -3.94806200
 H                 -1.17298900    0.64708400   -4.71996300
 C                  2.04165600    0.63762700   -1.99299900
 H                  2.40113200    1.52867500   -2.52296300
 H                  2.91314200    0.16348400   -1.51547000
 H                  1.66440000   -0.06705800   -2.74861500
 C                 -1.87908000    7.86852800    2.37619600
 H                 -1.36505200    8.27492600    3.25677900
 H                 -1.13577400    7.79405800    1.56850600
 H                 -2.63885100    8.59377400    2.05985100
 Cl                -5.42575400   -2.64805100    5.29606900

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        
****

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        



