%chk=Int2-b.chk
%nprocshared=8
%mem=22GB
#p opt freq=noraman m062x/gen pseudo=read nosymm scrf=(smd,solvent=1-Hexanol)

Int2-b

-1 1
 N                  1.54276500   12.11590100    0.02092400
 O                  3.28976100    9.99564800    0.03670700
 O                  0.68386500    9.38625400    0.57422000
 O                  0.80722500   11.22615800    2.59078500
 Cl                 5.40486500    8.37403400   -1.19625700
 Cl                 6.78535000   13.06776800   -3.58116700
 Cl                -1.64154100    7.63775300    0.98960500
 Cl                -3.91071100   10.76165200   -2.84999200
 Cl                 1.26122700   11.65755000    5.52586800
 Cl                 1.35742600   16.90506100    4.08054300
 C                  2.81886900   12.85690500   -0.18835400
 H                  3.18512400   13.12844800    0.80716000
 H                  2.59440600   13.78482900   -0.73152000
 C                  3.88290000   12.09309800   -0.93947900
 C                  4.06732300   10.70594900   -0.71827400
 C                  5.13166000   10.10704000   -1.42673300
 C                  5.96421000   10.79818300   -2.28468400
 H                  6.76691600   10.28838300   -2.79939900
 C                  5.73527400   12.15152100   -2.46830400
 C                  4.70593100   12.79808400   -1.81259000
 H                  4.54553400   13.85697300   -1.97827100
 C                  1.02690800   11.55180700   -1.26157000
 H                  1.79234300   10.87809500   -1.64848400
 H                  0.89528800   12.37254300   -1.97828200
 C                 -0.26610500   10.79056800   -1.10435400
 C                 -0.31895000    9.71161300   -0.18711600
 C                 -1.52709900    8.98872300   -0.14432200
 C                 -2.61744800    9.28829900   -0.93902300
 H                 -3.52418300    8.70350200   -0.86971200
 C                 -2.51747100   10.35681900   -1.81408100
 C                 -1.36113800   11.10910100   -1.90140700
 H                 -1.30863500   11.93767800   -2.59762900
 C                  0.52729700   13.04844800    0.58419000
 H                 -0.41714600   12.50136400    0.61011800
 H                  0.41867200   13.90182500   -0.09786500
 C                  0.84989200   13.50294800    1.97563600
 C                  0.93150000   12.47833200    2.94388300
 C                  1.14409500   12.89349600    4.26807300
 C                  1.27516300   14.22327200    4.62714100
 H                  1.44795600   14.49627400    5.65887500
 C                  1.19338400   15.18596100    3.63514800
 C                  0.98513200   14.84344300    2.31106000
 H                  0.91493700   15.61506200    1.55334300
 Al                 1.97391500   10.49496000    1.27766200
 C                  2.21776500    7.97172200    3.16539000
 C                  1.47246200    8.36630300    4.42980400
 C                  3.38582600    7.01460000    3.34833600
 H                  1.50992700    7.57890200    2.43017400
 H                  0.71292300    9.11218600    4.20725500
 H                  2.14940700    8.71922400    5.20334600
 I                  0.40376000    6.68058800    5.29198900
 H                  4.01322700    7.36448600    4.17241000
 H                  2.97295600    6.04175500    3.63330400
 O                  2.65918000    9.20002600    2.55846300
 C                  3.58629300   10.15490400    3.15599100
 O                  3.46511300   11.18974900    2.43397000
 O                  4.23505300    9.84871200    4.10991400
 C                  4.22330800    6.87022600    2.07912700
 H                  3.57398500    6.63585700    1.22684100
 H                  4.69530200    7.82679300    1.83545000
 C                  5.29319100    5.79041000    2.22662200
 H                  5.90925800    6.01747800    3.10399800
 H                  4.80959400    4.82753800    2.42860100
 C                  6.18454700    5.67089400    0.99288000
 H                  6.71552800    6.60716900    0.80789200
 H                  6.92435400    4.87461500    1.10704400
 H                  5.58729600    5.45525000    0.10237100
   
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    

