%chk=Product-solv.chk
%nprocshared=4
%mem=3GB
#p scrf=(solvent=1-hexanol) b97d3/gen pseudo=read nosymm

IC-p-solv

-1 1
 Al                -5.68275800    2.78577300    5.08820700
 O                 -4.23294100    2.60630500    3.81606500
 O                 -5.39657200    4.31784400    6.07007200
 N                 -6.36625900    4.37376300    3.35068900
 O                 -7.47511400    2.43575700    5.16231900
 O                 -5.40014900    0.34743200    3.39448800
 C                 -6.49572800    5.04058400    6.36697400
 C                 -7.20478600    5.71778700    5.34811000
 C                 -8.38435300    6.40140400    5.65221700
 C                 -8.89450500    6.43577000    6.95423100
 C                 -8.16520100    5.78478100    7.96054800
 C                 -6.97868300    5.09017600    7.69602600
 C                 -6.62941500    5.71899900    3.95791200
 H                 -8.94046400    6.87617100    4.84357100
 H                 -8.54895200    5.79048500    8.98296400
 C                 -8.60824200    3.07115900    4.84675200
 C                 -9.69307400    3.06179800    5.75752200
 C                -10.86768600    3.73886300    5.42036400
 C                -11.02191200    4.43022300    4.20903600
 C                 -9.94431100    4.41671800    3.31820100
 C                 -8.75349100    3.74838200    3.61828700
 H                -11.68860500    3.74006400    6.14020400
 H                -10.01783200    4.95785000    2.37301400
 C                 -7.57758700    3.80650000    2.69432100
 C                 -3.46459600    3.77403100    3.69017000
 C                 -2.24890200    3.90946500    4.36955000
 C                 -1.55487800    5.11554200    4.20650800
 C                 -2.03501400    6.15938300    3.40026000
 C                 -3.26500800    5.98459000    2.75307000
 C                 -3.98549800    4.79487100    2.89590000
 H                 -0.60324900    5.23891300    4.72504500
 H                 -3.67485200    6.78269300    2.13326400
 C                 -5.33426400    4.55255500    2.28885400
 C                 -5.89881300   -0.88238500    3.19705200
 C                 -7.30320100   -1.09504200    3.15070700
 C                 -7.78749400   -2.40071200    3.03128600
 C                 -6.94786200   -3.52052400    2.91699400
 C                 -5.57162300   -3.28674200    2.90029900
 C                 -5.04282000   -1.99608200    3.04294300
 H                 -1.17991700   -1.71847500    2.20681600
 H                 -8.86905600   -2.54565000    3.00752800
 H                 -4.88161500   -4.12428500    2.78355800
 H                 -4.45905000   -1.42751900    0.76366300
 Al                -3.97437300    1.15789200    2.54785300
 H                 -1.42161200   -0.42758900    3.40476400
 O                 -2.35006300    1.93793200    2.18011900
 N                 -3.05781700   -0.73119400    2.13983000
 O                 -4.78115600    1.40075400    0.90424000
 H                 -7.28904000    2.80617700    2.34567500
 C                 -1.31859400    1.58197700    1.41794800
 C                 -0.84455800    0.25545900    1.44887200
 C                  0.21607400   -0.13941400    0.63209900
 C                  0.83712100    0.76866700   -0.23478400
 C                  0.34939000    2.08523100   -0.25801300
 C                 -0.71111500    2.51570300    0.54581800
 C                 -1.56246300   -0.69560600    2.35028600
 H                  0.54604400   -1.18005300    0.65611700
 H                  0.79945800    2.80229300   -0.94742900
 C                 -4.05341600    1.16873900   -0.20435200
 C                 -4.04382700    2.10597300   -1.26330000
 C                 -3.19993000    1.88400100   -2.35722000
 C                 -2.37348300    0.75561700   -2.45287900
 C                 -2.45233800   -0.19609800   -1.43135900
 C                 -3.28080500   -0.01473800   -0.32094400
 H                 -3.17030700    2.63299600   -3.15113400
 H                 -1.82464600   -1.08591000   -1.47751100
 C                 -3.41298800   -1.10258400    0.71825500
 H                 -2.80025600   -1.97176200    0.43402900
 H                 -5.65228000    6.21248200    4.00190200
 H                 -7.27300800    6.30022100    3.27565200
 H                 -7.83282800    4.41042600    1.80469700
 C                 -3.55823800   -1.80164400    3.06876800
 H                 -3.06038600   -2.74750800    2.80124100
 H                 -3.20071700   -1.51864400    4.06507500
 H                 -5.31857300    3.63884400    1.68617200
 H                 -5.62610900    5.38476400    1.62477400
 O                 -2.14273700   -0.46059400    5.88162300
 C                 -2.61682700   -0.29764200    6.98656300
 O                 -3.81303900   -0.70264200    7.42202500
 O                 -1.88292500    0.29472300    7.96437000
 C                 -2.54346100    0.71785400    9.20974700
 C                 -1.39361400    0.72090100   10.22199400
 H                 -0.88690300   -0.24553000   10.21931000
 C                 -3.20593500    2.08277000    9.02608200
 H                 -3.88373200    2.03265100    8.16632100
 H                 -3.81874900    2.26819300    9.91867100
 O                 -5.11445600    1.49548100    6.22265300
 C                 -4.87920200   -0.88283700    6.40667900
 C                 -5.80553100    0.32252200    6.54256300
 C                 -5.58902000   -2.22246100    6.64229200
 C                 -6.41782500    0.38106800    7.96424900
 H                 -5.82767900   -2.66164300    5.66688200
 H                 -4.87949600   -2.89937100    7.13676000
 C                 -6.87121000   -2.07734700    7.48815000
 H                 -7.34242600    0.95989100    7.90262300
 H                 -5.73256800    0.94649200    8.60115400
 C                 -6.68441900   -1.01401200    8.57949400
 H                 -7.13779700   -3.04872400    7.92734200
 H                 -7.56225300   -0.98008500    9.23962300
 H                 -5.83082100   -1.30942200    9.20678200
 C                 -2.19244400    3.22024900    8.84587900
 H                 -1.68743100    3.09806900    7.88223800
 H                 -2.72897800    4.17537400    8.79540400
 C                 -0.42693700    1.88163800   10.05511300
 H                  0.10736500    1.68870400    9.11165300
 H                  0.31492500    1.86244700   10.86272300
 C                 -1.14281500    3.23727400    9.96614000
 H                 -0.40165200    4.02836700    9.78833500
 H                 -6.62152600    0.13315400    5.82656200
 H                 -7.70877000   -1.78762100    6.83737400
 H                 -3.27620300   -0.03994900    9.48928100
 H                 -1.62195700    3.45450200   10.93074700
 H                 -4.39314500   -0.84422300    5.43807900
 C                 -1.22767300    7.42268400    3.20844100
 H                 -0.65563600    7.67232100    4.11085900
 H                 -0.50786200    7.31087700    2.38344100
 H                 -1.87313800    8.27652100    2.96798700
 C                 -1.26320200    3.91152000    0.47733300
 H                 -2.32990000    3.88080700    0.22782000
 H                 -1.19082600    4.41762500    1.44696600
 H                 -0.74070300    4.50876500   -0.27989700
 C                 -1.71147600    2.77664100    5.19313900
 H                 -0.88191700    3.10782300    5.82676600
 H                 -2.49553100    2.34034500    5.81726100
 H                 -1.34709500    1.97539300    4.54143100
 C                  1.99548600    0.34651600   -1.10979700
 H                  2.10907100    1.01981700   -1.96885100
 H                  2.94962300    0.35385100   -0.55982600
 H                  1.85332600   -0.67074200   -1.49927400
 C                 -4.91008200    3.33725800   -1.17658100
 H                 -5.90765600    3.08829900   -0.79579600
 H                 -4.48686800    4.07966200   -0.48580800
 H                 -5.01067800    3.81326300   -2.15963500
 C                 -6.22512800    4.34873000    8.76906700
 H                 -6.05893800    3.30940000    8.46674800
 H                 -5.22831900    4.78316600    8.92739600
 H                 -6.76935900    4.36531300    9.72141000
 C                -10.23241200    7.07506400    7.24398200
 H                -10.31034000    7.39269100    8.29196400
 H                -10.40410300    7.95455100    6.60909200
 H                -11.05265500    6.36763600    7.04799700
 C                -12.28229200    5.20984100    3.91140200
 H                -13.17915200    4.67137000    4.24658100
 H                -12.28066100    6.18572900    4.42146200
 H                -12.38757500    5.40182700    2.83610100
 C                 -9.53951500    2.36641700    7.08140400
 H                 -9.31842300    1.29949900    6.94570600
 H                 -8.70221900    2.79961200    7.64117600
 H                -10.45039300    2.46363500    7.68421800
 C                 -8.24199800    0.07531600    3.19930600
 H                 -8.08595000    0.67492900    4.09872000
 H                 -8.05720600    0.74445600    2.34878800
 H                 -9.28654300   -0.25367000    3.15966100
 C                 -7.51862700   -4.91614800    2.81427100
 H                 -7.93872000   -5.25176700    3.77437200
 H                 -8.32810400   -4.96642100    2.07288600
 H                 -6.74816200   -5.63952900    2.52019400
 C                 -1.37509800    0.60719100   -3.57599100
 H                 -1.71217700    1.11759200   -4.48767900
 H                 -0.40491500    1.04069700   -3.28980800
 H                 -1.19928900   -0.44822900   -3.82213100
 Cl                -2.17630600    0.78693600   11.95078600

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        



