%chk=Int2-b.chk
%nprocshared=12
%mem=22GB
#p opt freq=noraman b3lyp/gen pseudo=read nosymm scrf=(smd,solvent=1-Hexanol)

Int2-b

-1 1
 N                  1.58100900   12.20374200    0.05115700
 O                  3.35223300   10.10488800    0.03084400
 O                  0.74491000    9.47058000    0.65739300
 O                  0.94709800   11.33200900    2.68764200
 Cl                 5.46823400    8.48830200   -1.31607900
 Cl                 6.86247500   13.29201500   -3.53428400
 Cl                -1.48421200    7.51755900    0.90346800
 Cl                -3.73972600   10.52995700   -3.07395500
 Cl                 1.03779700   11.87873700    5.68262100
 Cl                 0.80975900   17.10012500    4.06998000
 C                  2.85064900   12.97017700   -0.16891200
 H                  3.20883400   13.25814200    0.82365900
 H                  2.61084600   13.89283200   -0.71406700
 C                  3.93363900   12.22565300   -0.91838300
 C                  4.12723500   10.82942400   -0.72278200
 C                  5.19100200   10.25139700   -1.45826900
 C                  6.02558600   10.97096200   -2.29612600
 H                  6.82551800   10.47569700   -2.82790200
 C                  5.79819100   12.33144700   -2.43929800
 C                  4.76048400   12.95714500   -1.77155000
 H                  4.59245300   14.01846100   -1.91160100
 C                  1.06210700   11.63824600   -1.24043200
 H                  1.85930600   11.02958400   -1.66339400
 H                  0.87414400   12.46853400   -1.93316100
 C                 -0.18815400   10.79891500   -1.10665500
 C                 -0.22272100    9.71759500   -0.18114200
 C                 -1.38018300    8.90586600   -0.21923900
 C                 -2.44085800    9.13009400   -1.08125000
 H                 -3.30478000    8.48094700   -1.06454100
 C                 -2.36570600   10.20789100   -1.95059900
 C                 -1.25860200   11.03857000   -1.96953800
 H                 -1.21900800   11.86830800   -2.66500400
 C                  0.53945000   13.12150900    0.61180800
 H                 -0.39541700   12.55685200    0.59948100
 H                  0.42423900   13.97460900   -0.06968200
 C                  0.78932300   13.59860100    2.01316900
 C                  0.90890300   12.59822200    3.01334400
 C                  0.94757600   13.06419800    4.34490200
 C                  0.91917800   14.41066400    4.67641200
 H                  0.96737900   14.71727300    5.71163700
 C                  0.83690000   15.34494500    3.65533600
 C                  0.76673300   14.95501300    2.32780800
 H                  0.67416800   15.69915100    1.54572800
 Al                 2.06354100   10.57198200    1.33563200
 C                  2.38749900    8.02127000    3.29923200
 C                  1.78137700    8.42863200    4.63831300
 C                  3.54484500    7.02941700    3.37853600
 H                  1.60128200    7.64526300    2.64203700
 H                  1.05307800    9.22194800    4.50855800
 H                  2.53390100    8.70751500    5.36859800
 I                  0.64366900    6.78695200    5.58474600
 H                  4.35540300    7.48904700    3.94946900
 H                  3.19346600    6.16501400    3.95154800
 O                  2.79672600    9.25329800    2.63290600
 C                  3.78422800   10.23237500    3.16858000
 O                  3.61582700   11.25092000    2.43538900
 O                  4.49087600    9.94212600    4.09055200
 C                  4.05320600    6.56204700    2.01129900
 H                  3.22757300    6.10096800    1.45383000
 H                  4.37364500    7.42409000    1.41954300
 C                  5.20517000    5.55720200    2.13241500
 H                  6.02869800    6.02159700    2.68850200
 H                  4.87675800    4.70044800    2.73547200
 C                  5.72345700    5.05889400    0.78028800
 H                  6.10814200    5.88686600    0.17893300
 H                  6.53087900    4.33027400    0.90518300
 H                  4.92570400    4.57772800    0.20514400
   
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    

