%chk=Int4b-trans-solv.chk
%nprocshared=8
%mem=22GB
#p scrf=(solvent=1-Hexanol) b97d3/gen pseudo=read nosymm

Int4b-trans-solv

-1 1
 N                  1.54633600   12.30597400   -0.19069300
 O                  2.88531300    9.98726000    0.51639000
 O                  0.51176000    9.61473800   -0.82162100
 O                  1.60655700   11.22223500   -2.79102900
 C                  2.79537900   12.94293100    0.33503100
 H                  3.45116100   13.08856200   -0.53154700
 H                  2.53569100   13.94139900    0.72518100
 C                  3.49195100   12.15094300    1.41561000
 C                  3.53054700   10.72937100    1.40966500
 C                  4.24271200   10.07693800    2.45913300
 C                  4.88125100   10.83131800    3.44303100
 H                  5.41969300   10.30365500    4.23343100
 C                  4.84886400   12.23532400    3.45723500
 C                  4.13758400   12.86607800    2.43448300
 H                  4.07889300   13.95671200    2.42010400
 C                  0.61429600   11.96401000    0.93124900
 H                  1.16562800   11.31171800    1.61204800
 H                  0.37467000   12.89021000    1.47763300
 C                 -0.65508200   11.28888800    0.48228800
 C                 -0.61768400   10.10865400   -0.31385400
 C                 -1.84825100    9.42884000   -0.54997700
 C                 -3.04207600    9.96217800   -0.05833800
 H                 -3.96982000    9.42307900   -0.26212600
 C                 -3.09528700   11.15556300    0.67703000
 C                 -1.88039400   11.79308100    0.93889800
 H                 -1.87345400   12.71027500    1.53115900
 C                  0.84668100   13.26055400   -1.11879700
 H                 -0.10200700   12.77712300   -1.37711900
 H                  0.62372400   14.18228000   -0.55725100
 C                  1.62992000   13.55591500   -2.35978200
 C                  1.97410100   12.44512000   -3.16810200
 C                  2.71930900   12.67181400   -4.35488200
 C                  3.05415000   13.98464500   -4.70051000
 H                  3.63329700   14.14780500   -5.61259300
 C                  2.70594500   15.09488600   -3.91212700
 C                  1.99982200   14.85324000   -2.72770200
 H                  1.72813300   15.68811400   -2.07796900
 Al                 2.11847800   10.51914200   -1.12410300
 C                  4.37791600    9.84763200   -2.27402400
 O                  3.99119600   10.91802300   -1.71311800
 O                  5.39523300    9.50463400   -2.83189600
 C                 -4.41229600   11.73209300    1.14354400
 H                 -4.94010200   12.25422700    0.33009100
 H                 -5.08682300   10.94747700    1.51357100
 H                 -4.26419100   12.45644200    1.95457200
 C                 -1.85484400    8.12562600   -1.30516700
 H                 -1.46885200    8.24417300   -2.32400300
 H                 -1.21670000    7.38262200   -0.81189900
 H                 -2.87217500    7.72061900   -1.36898100
 C                  4.28979300    8.57309500    2.47762000
 H                  3.27904600    8.14604900    2.45785200
 H                  4.80363900    8.18804700    1.58832300
 H                  4.81319000    8.20684400    3.36937200
 C                  3.19597300   11.49372600   -5.16296300
 H                  4.16821200   11.14154500   -4.78965600
 H                  2.49720300   10.66114800   -5.06294800
 H                  3.31388300   11.75351300   -6.22325100
 C                  3.07355100   16.49810500   -4.33958100
 H                  4.09535900   16.54114800   -4.74157600
 H                  2.40134900   16.87662100   -5.12598700
 H                  3.01637000   17.19814900   -3.49616400
 C                  5.56838800   13.02430400    4.52719500
 H                  6.65801200   13.02895400    4.36761000
 H                  5.23542300   14.07001600    4.54011500
 H                  5.39188600   12.60407400    5.52765800
 O                  3.23623500    8.90040400   -2.16607000
 C                  3.51862300    7.54583400   -2.60289800
 H                  4.58736800    7.40717500   -2.43162700
 C                  2.73759000    6.56479300   -1.70652000
 C                  3.25655800    7.32015700   -4.09851700
 O                  3.15713300    5.17050700   -2.13482400
 C                  1.25423400    6.61976800   -2.03960800
 C                  2.99162700    6.74025500   -0.22079400
 C                  1.78741500    7.05878500   -4.55652900
 H                  3.87673000    6.46064800   -4.37941800
 H                  3.67900500    8.17558700   -4.63511500
 C                  4.43265900    4.78051700   -2.01938100
 C                  0.94054100    6.29695400   -3.50351000
 H                  0.92152400    7.62542500   -1.76478300
 H                  0.71629000    5.92130600   -1.38395200
 H                  4.05783000    6.69372900    0.00232900
 H                  2.61298500    7.71121200    0.10657100
 H                  2.47085300    5.94881300    0.33313200
 O                  5.35388000    5.36626100   -1.50212600
 O                  4.66960100    3.55594500   -2.57139000
 H                 -0.12036900    6.49435600   -3.69760100
 H                  1.09064800    5.22210600   -3.65057900
 C                  3.71619200    2.69937800   -3.31725100
 C                  4.74977900    1.65350900   -3.79133900
 C                  3.05713100    3.42412100   -4.51793200
 C                  2.69616300    2.14580100   -2.32648900
 H                  5.24185600    1.21584600   -2.92262800
 C                  5.77570100    2.19465100   -4.78746700
 Cl                 3.84530500    0.14469900   -4.52398400
 C                  3.68779900    3.12383100   -5.88336600
 H                  3.09227500    4.49377200   -4.32286500
 H                  1.99556900    3.15357500   -4.54399500
 H                  3.20789300    1.68270400   -1.47452300
 H                  2.06731500    2.96316000   -1.96387600
 H                  2.06667000    1.39477700   -2.81135100
 C                  5.23166800    3.19859500   -5.84305800
 H                  6.23887000    1.33856400   -5.28816900
 H                  6.56366000    2.66291400   -4.19054900
 H                  3.39781800    2.12398000   -6.21994800
 H                  3.29007700    3.83056000   -6.62018900
 C                  5.71819300    4.64241200   -5.71398300
 H                  5.58298900    2.85812700   -6.82963300
 C                  6.39756400    5.14595700   -4.67453300
 C                  5.36340500    5.53224700   -6.88612300
 H                  6.63446100    4.57838100   -3.78175700
 H                  6.69731900    6.19232300   -4.66400800
 H                  5.61865800    5.05314100   -7.84323900
 H                  4.28674700    5.75044800   -6.91618300
 H                  5.88788000    6.49086900   -6.82451500
 C                  1.13599500    8.31564300   -5.11479300
 C                  0.36177600    9.14052100   -4.40260000
 C                  1.46818000    8.59182200   -6.56235500
 H                 -0.04417400   10.05030300   -4.83848900
 H                  0.16845400    8.99860700   -3.34646100
 H                  2.55658200    8.65922800   -6.71233100
 H                  1.11107100    7.77499700   -7.21028700
 H                  1.02377900    9.53124400   -6.90837100
 H                  1.87268600    6.37673800   -5.41828400
   
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        


