%chk=Break-Freq.chk
%nprocshared=8
%mem=60GB
#p freq=noraman b97d3/gen pseudo=read nosymm

Scan

-1 1
 Al                -5.31299700    3.05043200    5.24342400
 O                 -3.61556700    3.01432300    4.60251700
 O                 -5.27396000    4.41810800    6.43990000
 N                 -5.93244400    4.23212800    3.55290300
 O                 -7.03511000    2.45602800    5.41704000
 O                 -5.45916000   -0.16207800    2.80989900
 C                 -6.35103300    5.20456900    6.51392200
 C                 -6.90785500    5.79853400    5.34369800
 C                 -8.07727800    6.56629100    5.41504000
 C                 -8.69636900    6.75612200    6.64851900
 C                 -8.17434200    6.22441900    7.82713000
 C                 -7.00619400    5.46668100    7.73770300
 C                 -6.17822900    5.64466600    4.02569600
 H                 -8.51471200    6.98810900    4.51261500
 H                 -8.66875700    6.37001500    8.78336200
 C                 -8.17932900    3.03128700    5.08127800
 C                 -9.28168100    3.08985000    5.96302100
 C                -10.49050900    3.69948700    5.62509000
 C                -10.60804900    4.26057000    4.35318100
 C                 -9.55354900    4.24117900    3.44091000
 C                 -8.34879700    3.63566700    3.80939600
 H                -11.30620800    3.74658200    6.34089800
 H                 -9.66113400    4.70641800    2.46214300
 C                 -7.15531700    3.63385700    2.90471300
 C                 -2.97805200    4.03901700    4.04470300
 C                 -1.72965600    4.50019100    4.51725700
 C                 -1.01061600    5.51193900    3.87915100
 C                 -1.58322400    6.11255300    2.75709700
 C                 -2.84397300    5.74964200    2.28696500
 C                 -3.53690700    4.72024500    2.93598700
 H                 -0.04238600    5.82706600    4.25839700
 H                 -3.27413700    6.24103100    1.41621800
 C                 -4.88482700    4.26401600    2.46606000
 C                 -6.16255400   -1.24003700    2.54565300
 C                 -7.57661200   -1.26245500    2.71714000
 C                 -8.37064600   -2.37933000    2.46310900
 C                 -7.74832800   -3.53765000    1.99728700
 C                 -6.37349700   -3.58675100    1.78805700
 C                 -5.58210100   -2.46192600    2.06705400
 H                 -1.83245800   -2.69673100    0.48537100
 H                 -9.44621500   -2.33470500    2.61220800
 H                 -5.90973800   -4.50042800    1.41779400
 H                 -5.19462000   -1.49673400   -0.10332300
 Al                -3.77183300    0.23656400    2.10765600
 H                 -1.63746500   -1.80761700    2.02253000
 O                 -2.20801700    1.09524300    1.61762800
 N                 -3.47181400   -1.48218600    1.07448500
 O                 -4.68523100    1.15605900    0.72478600
 H                 -6.88298900    2.60652100    2.62185900
 C                 -1.36396500    0.71754200    0.68338400
 C                 -1.21405200   -0.64560000    0.27612800
 C                 -0.30831600   -1.00770000   -0.72849300
 C                  0.47007200   -0.02832200   -1.34102800
 C                  0.36371900    1.31718500   -0.98728400
 C                 -0.54617100    1.66428000    0.01044900
 C                 -1.98961100   -1.72665700    0.98611400
 H                 -0.21066200   -2.05024800   -1.02898900
 H                  0.96247700    2.07993100   -1.47767400
 C                 -4.20216900    1.08236200   -0.50970700
 C                 -4.03401300    2.20370000   -1.35910600
 C                 -3.44548500    2.13274100   -2.62238100
 C                 -3.03655000    0.88449600   -3.08817900
 C                 -3.23319100   -0.27177100   -2.33836700
 C                 -3.81772100   -0.17562100   -1.07086800
 H                 -3.29917500    3.03302000   -3.21260200
 H                 -2.91225000   -1.23767200   -2.72448200
 C                 -4.11396700   -1.42722000   -0.28487800
 H                 -3.80481500   -2.32293400   -0.84785500
 H                 -5.17947900    6.09188400    4.12177600
 H                 -6.71602300    6.18632900    3.23032600
 H                 -7.37110600    4.19343100    1.97994200
 C                 -4.08646600   -2.58131700    1.90394200
 H                 -3.83576900   -3.54970700    1.44038400
 H                 -3.58501900   -2.52578000    2.87972100
 H                 -4.83002800    3.25041400    2.04856900
 H                 -5.25001000    4.92109200    1.66410200
 O                 -3.10075900   -0.28174500    3.76282300
 C                 -2.00885000   -0.35473800    4.47410700
 O                 -1.95304400   -0.41995400    5.69779600
 O                 -0.86991300   -0.44381600    3.68616200
 C                  0.39873800   -0.48882600    4.41087300
 C                  1.37012300   -1.08748600    3.38476100
 H                  0.99538100   -2.04436600    3.00713300
 C                  0.79719000    0.91770500    4.86085800
 H                  0.00069800    1.30693700    5.50291200
 H                  1.70438400    0.83100200    5.47927700
 O                 -4.79909400    1.33929400    6.01966700
 C                 -4.45338400    0.74441000    7.31489400
 C                 -5.17016600   -0.05170200    6.28946800
 H                 -3.37435600    0.62548100    7.40112100
 C                 -5.28852900    1.21116600    8.49078000
 C                 -6.61178100   -0.39958000    6.59312300
 H                 -4.65579400    1.67083900    9.26134900
 H                 -5.96427200    1.99733400    8.13556500
 C                 -6.13825300    0.05637500    9.09478100
 H                 -6.98085400   -1.14233700    5.87368700
 H                 -7.23570600    0.49254400    6.48971100
 C                 -6.66934800   -0.95233000    8.03561400
 H                 -6.97918600    0.51461800    9.63503500
 H                 -6.06788300   -1.87547000    8.07570100
 H                 -7.70217000   -1.24466100    8.27480900
 C                  1.05473500    1.85034200    3.66814600
 H                  0.11863000    1.99403700    3.11042300
 H                  1.35744500    2.84198800    4.03542700
 C                  1.75148400   -0.13753500    2.26107800
 H                  0.84625600   -0.06107600    1.64162500
 H                  2.52936900   -0.58191300    1.62540400
 C                  2.13308600    1.27119500    2.73759500
 H                  2.26736800    1.91795500    1.85757200
 H                 -4.58313500   -0.70411000    5.64709400
 H                 -5.54385400   -0.48595800    9.84580700
 H                  0.26936300   -1.15407300    5.27192300
 H                  3.10081900    1.23176000    3.26537300
 Cl                 1.64595000   -0.51000500   -2.63131300
 Cl                -2.23320500    0.76965300   -4.70518200
 Cl                -4.58395000    3.82769200   -0.80975800
 Cl                -0.66168200    7.41672500    1.90078400
 Cl                -8.75745300   -5.00080900    1.64281600
 Cl                -6.33562700    4.75933000    9.25009400
 Cl                -9.10686200    2.40122000    7.61855800
 Cl               -12.16489300    5.05813300    3.88910000
 Cl               -10.23753100    7.70257100    6.72630200
 Cl                -1.05627200    3.79064100    6.02372700
 Cl                -8.40259700    0.23009000    3.27615100
 Cl                -0.69607100    3.39332200    0.46689500
 I                  3.22718900   -1.78939900    4.50275100

C,H,O,N 0
6-31G*
****
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


