%chk=FC.chk
%nprocshared=8
%mem=22GB
#p opt freq=noraman wb97xd/gen pseudo=read nosymm scrf=(smd,solvent=1-Hexanol)

FC

0 1
 N                  1.50846200   11.71336100   -0.09884700
 O                  3.82730800   10.07634900    0.04807600
 O                  0.98574200    8.94756900   -0.21799100
 O                  1.86396100   10.50323900    2.38747700
 Cl                 6.11308700    8.94857700   -1.43617700
 Cl                 6.07282800   13.77474700   -3.94463800
 Cl                -1.06119000    6.80904900   -0.29581500
 Cl                -3.94285100   10.54176100   -3.00483500
 Cl                 2.31794200   10.60752200    5.28286900
 Cl                 0.09679900   15.56089600    4.80371300
 C                  2.65722900   12.65820700   -0.13823200
 H                  3.01182200   12.77071500    0.89061800
 H                  2.29706600   13.64104400   -0.46831200
 C                  3.78628800   12.20449800   -1.02069100
 C                  4.32391200   10.91826400   -0.83406300
 C                  5.41654000   10.55561700   -1.63431600
 C                  5.95950400   11.41132400   -2.57547800
 H                  6.80211400   11.09701900   -3.17578600
 C                  5.39602500   12.66536000   -2.73458200
 C                  4.31622800   13.06780700   -1.97274100
 H                  3.89147000   14.05446100   -2.11371200
 C                  0.99377500   11.46804100   -1.47366000
 H                  1.80808300   11.02130300   -2.05022200
 H                  0.74967600   12.42986800   -1.94248700
 C                 -0.20374800   10.55844900   -1.49842400
 C                 -0.09233100    9.29995700   -0.87778500
 C                 -1.18858300    8.43444800   -0.98920000
 C                 -2.35776400    8.79093400   -1.63525600
 H                 -3.18483100    8.09675900   -1.69379400
 C                 -2.43980500   10.05203800   -2.19888800
 C                 -1.37515700   10.93349000   -2.14376000
 H                 -1.45739100   11.90950200   -2.60694900
 C                  0.41630300   12.29340100    0.72493000
 H                 -0.40112200   11.56670600    0.72634900
 H                  0.04107300   13.19796700    0.22821300
 C                  0.78660600   12.60916600    2.14678400
 C                  1.43568900   11.62508900    2.91144500
 C                  1.59520700   11.87718500    4.28023400
 C                  1.19618500   13.06056900    4.87204700
 H                  1.34741700   13.22478700    5.92998100
 C                  0.60392700   14.02440500    4.07392100
 C                  0.39025700   13.80876000    2.72504700
 H                 -0.10002700   14.56868000    2.12833500
 Al                 2.20449000    9.85834000    0.74245700
 C                  0.03629500    7.43796700    3.71100300
 C                  0.99784000    6.27015900    3.95466000
 C                 -1.39479300    7.08920200    3.36578600
 H                  0.09008900    8.17628800    4.51627500
 H                  1.25206500    6.12046300    5.00093900
 H                  0.64396000    5.33814500    3.50934300
 H                 -1.38949900    6.31449000    2.59248900
 H                 -1.87172100    6.66421000    4.25638300
 O                  0.64851200    8.05976900    2.56123700
 C                  1.88892800    7.66144200    2.44582600
 O                  2.68278400    8.15633800    1.66508800
 O                  2.19418600    6.67213700    3.25691300
 C                 -2.17394700    8.30414400    2.86040900
 H                 -2.23052500    9.06444700    3.64918400
 H                 -1.61774900    8.75284900    2.03158100
 C                 -3.57690100    7.95732800    2.37077500
 H                 -4.17453300    7.56221800    3.20035800
 H                 -3.50186400    7.15627400    1.62711400
 C                 -4.27940900    9.16086200    1.74809300
 H                 -4.37717300    9.97743500    2.46991900
 H                 -3.71399300    9.53805200    0.89018700
 H                 -5.28174100    8.90269900    1.39869600 

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

