%chk=Int-1.chk
%nprocshared=8
%mem=22GB
#p opt freq=noraman b97d3/gen pseudo=read nosymm scrf=(smd,solvent=1-Hexanol)

Int-1

-1 1
 N                  1.55668600   11.93329700    0.20842300
 O                  3.53522000   10.05895500    0.75257200
 O                  0.46685100    9.52917400    1.10764800
 O                  1.90871800   11.70946800    2.95159100
 Cl                 5.43641800    8.12141400   -0.45373300
 Cl                 6.17455000   12.08547000   -4.11177000
 Cl                -1.96656900    7.94206500    1.66157100
 Cl                -3.91575500   10.57592600   -2.69110200
 Cl                 2.97201800   12.96436300    5.40900700
 Cl                 1.11781700   17.54740500    3.11999600
 C                  2.81577500   12.65103600   -0.12568500
 H                  3.25672400   13.00312600    0.81074600
 H                  2.57739600   13.53444100   -0.72971300
 C                  3.81287300   11.79378700   -0.85087300
 C                  4.11192300   10.51943500   -0.32932800
 C                  5.05508500    9.75758600   -1.03587200
 C                  5.69399100   10.21126600   -2.17626400
 H                  6.41671700    9.58961700   -2.68800100
 C                  5.37048200   11.47259300   -2.63991700
 C                  4.43325000   12.26283500   -2.00019600
 H                  4.18143800   13.24212300   -2.38987100
 C                  0.99775400   11.32504100   -1.02592800
 H                  1.70741200   10.57278400   -1.37868700
 H                  0.92020100   12.09438400   -1.80366300
 C                 -0.33747000   10.66969000   -0.82272200
 C                 -0.49029300    9.76139500    0.24280100
 C                 -1.72916100    9.11024200    0.34260000
 C                 -2.77573100    9.33513200   -0.53376600
 H                 -3.71634800    8.81385400   -0.41612100
 C                 -2.57941000   10.24986400   -1.55154100
 C                 -1.37923600   10.91899700   -1.70564800
 H                 -1.24645200   11.63193400   -2.51081400
 C                  0.57007100   12.90086300    0.75445900
 H                 -0.31041400   12.33336400    1.06874900
 H                  0.25471800   13.58188500   -0.04483900
 C                  1.08761200   13.69223800    1.92003800
 C                  1.71912600   13.00519600    2.97469700
 C                  2.15084600   13.78156100    4.06139200
 C                  1.97563400   15.15193300    4.13056300
 H                  2.32433200   15.70919700    4.98995000
 C                  1.35166000   15.77732200    3.06699300
 C                  0.91431100   15.06916300    1.96290000
 H                  0.43620700   15.57943200    1.13505400
 Al                 1.99079800   10.37437600    1.69594500
 O                  2.35671600    9.15934800    2.99184200
 C                  2.89068200    7.88926900    2.77194400
 C                  1.73437700    6.91829100    3.00164500
 C                  4.07445200    7.65428700    3.70957000
 H                  3.24190300    7.77557800    1.73514300
 H                  0.88268100    7.18605000    2.38283100
 H                  1.44583100    6.86142400    4.05021700
 I                  2.17099300    4.84479900    2.42247000
 H                  3.70477600    7.69271100    4.74347100
 H                  4.48219900    6.64964300    3.54770900
 C                  5.17630400    8.69245800    3.52187700
 H                  5.52242600    8.66941600    2.48129300
 H                  4.75389400    9.68943700    3.68555900
 C                  6.36477300    8.49059900    4.45791900
 H                  6.79351700    7.49302300    4.29961900
 H                  6.01387200    8.51472000    5.49721700
 C                  7.44922800    9.54558500    4.26384000
 H                  8.28326300    9.39919600    4.95717200
 H                  7.85126900    9.51263100    3.24556600
 H                  7.04911900   10.55160300    4.42926200
  
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    

