%chk=Before.chk
%nprocshared=8
%mem=22GB
#p opt freq=noraman b97d3/gen nosymm pseudo=read

Scan

-1 1
 Al                -5.75880300    2.77352900    3.69419500
 O                 -4.25216700    3.34518900    2.69897700
 O                 -5.28456800    3.66948800    5.24219600
 N                 -6.70428800    4.56253900    2.83582900
 O                 -7.40402800    2.15630500    4.25365100
 O                 -5.67439100    1.31019700    2.28515600
 C                 -6.18475800    4.37616800    5.90598000
 C                 -6.96051700    5.36562300    5.24498400
 C                 -7.97737900    6.05972600    5.90915300
 C                 -8.21553800    5.79349000    7.25235700
 C                 -7.44225400    4.88243100    7.96633200
 C                 -6.42611600    4.20607400    7.28958100
 C                 -6.59529700    5.70262100    3.82527800
 H                 -8.58510400    6.78730000    5.38011100
 H                 -7.63239300    4.68271600    9.00830900
 C                 -8.52880900    2.81654000    4.48843900
 C                 -9.34849100    2.53317100    5.60348200
 C                -10.53337700    3.19707900    5.88611500
 C                -10.95027900    4.19212200    5.00576900
 C                -10.18254400    4.54396000    3.90273200
 C                 -8.97979800    3.87538700    3.64971200
 H                -11.10524700    2.94501500    6.77440000
 H                -10.50354200    5.35704700    3.26465300
 C                 -8.13693200    4.33765900    2.49995400
 C                 -3.79067200    4.59160800    2.45515100
 C                 -2.56227100    5.07197400    2.91696500
 C                 -2.10692700    6.34387800    2.54623300
 C                 -2.93402600    7.13981600    1.76057300
 C                 -4.21441700    6.73812500    1.38275500
 C                 -4.64277300    5.45244400    1.74581600
 H                 -1.14104300    6.69008400    2.87537200
 H                 -4.87423300    7.40105100    0.82976000
 C                 -6.02957000    4.94720500    1.52722800
 C                 -6.23999400    0.09185600    2.15329900
 C                 -7.62933200   -0.06181600    1.89722300
 C                 -8.27918700   -1.29192700    1.91595200
 C                 -7.52545000   -2.44262100    2.07728800
 C                 -6.14477300   -2.36488500    2.14652000
 C                 -5.49046100   -1.11879600    2.17240400
 H                 -1.54405300   -1.58748300    1.75327000
 H                 -9.35735000   -1.34124000    1.76592300
 H                 -5.55741800   -3.28291000    2.21902000
 H                 -4.49701600   -0.64644600   -0.08786700
 Al                -3.68194900    1.68191900    1.99683700
 H                 -1.67402200   -0.27595100    2.94008300
 O                 -1.92827600    2.23904500    1.73188400
 N                 -3.18121000   -0.26210500    1.48679400
 O                 -4.27939600    2.09719300    0.25212100
 H                 -8.14402300    3.60501300    1.68537100
 C                 -0.95966700    1.68962000    1.04536200
 C                 -0.76315300    0.28401100    1.06159900
 C                  0.25573500   -0.31891200    0.32161400
 C                  1.09347000    0.47323700   -0.45704200
 C                  0.92573900    1.85365400   -0.53361200
 C                 -0.08836400    2.43849200    0.22920400
 C                 -1.73238300   -0.51662800    1.87172800
 H                  0.37876200   -1.39756100    0.34345400
 H                  1.55225000    2.46031800   -1.17730500
 C                 -3.51863600    1.82982500   -0.79378700
 C                 -3.18784800    2.80093100   -1.76032800
 C                 -2.30869900    2.54058200   -2.80393500
 C                 -1.76050900    1.26412000   -2.89976500
 C                 -2.07526800    0.25780500   -2.00255500
 C                 -2.96203300    0.53411200   -0.95596800
 H                 -2.04354700    3.32698400   -3.51340100
 H                 -1.61556000   -0.72491700   -2.09149800
 C                 -3.41199900   -0.53147400    0.01039700
 H                 -2.93631900   -1.49332700   -0.22738400
 H                 -5.54399800    6.01941800    3.81605700
 H                 -7.20192400    6.54068500    3.45900800
 H                 -8.55768300    5.27454100    2.10126100
 C                 -3.98327400   -1.23477800    2.28276300
 H                 -3.70828800   -2.24236700    1.94916300
 H                 -3.63551900   -1.15847500    3.31051900
 H                 -6.01239500    4.05521600    0.90501300
 H                 -6.64529000    5.72429000    1.02715200
 O                 -4.69577300    0.39181600    5.80190000
 C                 -4.80756300   -0.86274300    6.53888300
 C                 -5.61569400   -1.80052200    5.60551400
 H                 -3.80793900   -1.25625500    6.71647100
 C                 -7.10010300   -1.75892200    5.86364100
 H                 -7.64264000   -2.37173700    5.13067700
 H                 -7.38661000   -0.71276800    5.66641600
 C                 -5.56280000   -0.53817100    7.84023600
 H                 -4.84994700   -0.19821100    8.59933500
 H                 -6.22546300    0.31308000    7.63592000
 C                 -7.47923100   -2.14024600    7.31140600
 C                 -6.38338400   -1.74136400    8.32488900
 H                 -7.65901100   -3.23092000    7.36880900
 H                 -8.42393000   -1.65525000    7.56022100
 H                 -6.83608500   -1.51467500    9.30391000
 Cl                -9.58110700    6.62433500    8.07930400
 Cl                -5.41508100    3.06293900    8.21277100
 Cl               -12.48643600    5.07366200    5.33301500
 Cl                -8.79970600    1.30706100    6.79261600
 Cl                 2.38615600   -0.30709300   -1.43023800
 Cl                -0.34768400    4.20337900    0.08820800
 Cl                -3.89903100    4.44377900   -1.60989500
 Cl                -0.56269100    0.93358500   -4.21165300
 Cl                -2.35358900    8.75828800    1.25377200
 Cl                -1.58927200    4.14114300    4.07275800
 Cl                -8.33890900   -4.03936000    2.14640000
 Cl                -8.65033900    1.31217200    1.41080500
 H                 -5.70788100   -2.59261500    8.49885700
 H                 -5.38709400   -1.57544800    4.56909400
 I                 -4.83578200   -3.92859300    5.70068100
 C                 -3.65023800    0.47895500    4.89643200
 O                 -2.63613600   -0.24247300    4.95670900
 O                 -3.93931200    1.36387400    3.97857400

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




