%chk=Int-1.chk
%nprocshared=8
%mem=22GB
#p opt freq=noraman b3lyp/gen pseudo=read nosymm scrf=(smd,solvent=1-Hexanol)

Int-1

-1 1
 N                  1.50847900   11.99953900    0.09813900
 O                  3.55429300   10.15194300    0.56336200
 O                  0.50180700    9.58879400    1.12550100
 O                  1.99823200   11.79865600    2.84110800
 Cl                 5.61453000    8.31993800   -0.61214500
 Cl                 6.10600900   12.29440500   -4.34031400
 Cl                -1.91332300    7.99258000    1.86206300
 Cl                -4.06472100   10.37027700   -2.57388000
 Cl                 3.03680200   13.06877000    5.32674600
 Cl                 0.94176000   17.62155000    3.11239100
 C                  2.73608500   12.74122300   -0.32346000
 H                  3.18849900   13.15048200    0.58316400
 H                  2.44545300   13.59201400   -0.95168800
 C                  3.74804000   11.89987600   -1.05634000
 C                  4.11167600   10.64072900   -0.52198100
 C                  5.10938200    9.93018300   -1.22067100
 C                  5.72547500   10.41019500   -2.36654400
 H                  6.48611000    9.82727500   -2.86622000
 C                  5.33008100   11.64822300   -2.84862600
 C                  4.34885700   12.39228600   -2.21384300
 H                  4.05194800   13.35453800   -2.61188600
 C                  0.89178300   11.34646000   -1.09691400
 H                  1.61603500   10.62131900   -1.47484000
 H                  0.74477600   12.09672300   -1.88340700
 C                 -0.41392900   10.65039400   -0.81498000
 C                 -0.50092100    9.77581700    0.29362900
 C                 -1.72871200    9.10561900    0.46791800
 C                 -2.81132000    9.26562600   -0.38351400
 H                 -3.73262600    8.72852700   -0.20805300
 C                 -2.67406900   10.13647000   -1.45338400
 C                 -1.49683900   10.83271400   -1.67412500
 H                 -1.41459500   11.51160800   -2.51359900
 C                  0.53111900   12.96552400    0.68689300
 H                 -0.33290200   12.38385200    1.01710600
 H                  0.18153600   13.64782600   -0.09756700
 C                  1.06740500   13.76356100    1.84652700
 C                  1.75116800   13.08733800    2.88392400
 C                  2.16286800   13.87109600    3.98133000
 C                  1.92636300   15.23407800    4.07284100
 H                  2.26118800   15.79384900    4.93463900
 C                  1.25684500   15.84958200    3.02582400
 C                  0.83145700   15.13597500    1.91688100
 H                  0.31272200   15.63946800    1.11066000
 Al                 2.06785500   10.42924300    1.61940600
 O                  2.55718100    9.23674700    2.90374300
 C                  3.03374400    7.93000900    2.74318000
 C                  1.79336800    7.03906900    2.85923900
 C                  4.08868600    7.61874500    3.81196600
 H                  3.48183600    7.78681300    1.74928600
 H                  1.02436000    7.34395100    2.15952300
 H                  1.40447200    6.99759300    3.87422300
 I                  2.14073600    4.88412400    2.32856000
 H                  3.61773300    7.75448100    4.79470200
 H                  4.38100800    6.56506700    3.74000900
 C                  5.33294800    8.50493300    3.71489000
 H                  5.79298400    8.37697800    2.72660400
 H                  5.02307300    9.55278700    3.77750300
 C                  6.37396100    8.21346700    4.80154000
 H                  6.68520800    7.16321500    4.73680600
 H                  5.90744300    8.33163700    5.78747000
 C                  7.60859600    9.11593200    4.71321200
 H                  8.32996200    8.88906500    5.50377700
 H                  8.11869900    8.99383300    3.75220000
 H                  7.33136000   10.17070200    4.80730500
  
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    

