%chk=Int3a-cis.chk
%nprocshared=8
%mem=30GB
#p opt freq=noraman b97d3/gen pseudo=read nosymm

Int3a-cis

-1 1
 Al                -5.84876100    7.22901700   -3.32884600
 N                 -7.78537600    7.93539900   -2.84962400
 O                 -5.21835100    7.94504400   -1.76855300
 O                 -6.41198700    5.51176500   -3.28903800
 O                 -3.99375700    6.65176100   -3.67902300
 O                 -5.93235600    8.06697400   -4.94138800
 C                 -5.75838000    8.70811700   -0.80942100
 C                 -5.14521400    8.75325300    0.47101000
 C                 -5.69422600    9.58347900    1.45248500
 C                 -6.85079600   10.35112400    1.23999000
 C                 -7.47541300   10.24334300   -0.00541100
 C                 -6.94697200    9.44294800   -1.02655700
 H                 -5.21018000    9.61536700    2.42995000
 H                 -8.39891800   10.79308300   -0.19459200
 C                 -6.85245900    8.80851500   -5.56400700
 C                 -8.20717600    8.82289600   -5.16229100
 C                 -9.12575400    9.64862000   -5.82405800
 C                 -8.74986900   10.44805300   -6.90712300
 C                 -7.40415900   10.40482700   -7.30923500
 C                 -6.45277800    9.61235600   -6.66376200
 C                 -8.36727500    7.04268300   -1.79526700
 H                -10.16354500    9.65319300   -5.48626700
 H                 -7.08317600   11.01717400   -8.15409800
 C                 -7.57672500    4.93552600   -2.95860600
 C                 -8.59490000    5.63157400   -2.26801400
 C                 -9.80199500    4.98458100   -1.96761100
 C                -10.02570000    3.64865500   -2.30876800
 C                 -8.99310800    2.96666900   -2.97439200
 C                 -7.78040700    3.57492400   -3.30497300
 C                 -7.65692200    9.34411700   -2.34820800
 H                -10.57891900    5.54373200   -1.44344800
 H                 -9.13852600    1.92000200   -3.24747300
 C                 -8.66545100    7.90964800   -4.06111400
 H                 -8.68463600    6.86865900   -4.40533300
 H                 -9.69117600    8.16928200   -3.75352400
 H                 -8.66362900    9.78332500   -2.26819000
 H                 -7.66882400    7.05668300   -0.95120100
 H                 -9.31345300    7.48174300   -1.44123800
 H                 -7.12522900    9.89992400   -3.13101600
 C                 -2.99831800    7.39478900   -3.77186800
 O                 -1.76199000    7.02354500   -3.68037400
 Al                 1.02518900    4.19097900   -0.18752800
 N                  2.53978200    3.66547900    1.36705600
 O                  1.77660100    5.87973900   -0.17966300
 O                  1.78147700    2.84147200   -1.18183700
 O                 -0.12697400    4.53550800   -1.54906300
 O                 -0.24805000    3.82999300    1.09959100
 C                  2.78047700    6.48992800    0.44218400
 C                  3.35974300    7.64011500   -0.15795300
 C                  4.42155300    8.28659600    0.47773900
 C                  4.95694900    7.83447800    1.69552600
 C                  4.38890100    6.68945500    2.26451100
 H                  4.85521500    9.16863300    0.00158600
 H                  4.79047300    6.29839900    3.20141900
 C                 -0.27305400    3.37061800    2.34932400
 C                  0.83539700    2.71525000    2.93717000
 C                  0.77568700    2.28233500    4.26806600
 C                 -0.37083100    2.45356400    5.04886400
 C                 -1.46932900    3.09278000    4.45042000
 C                 -1.44703000    3.55332200    3.13225500
 C                  3.85173100    3.36069200    0.71701300
 H                  1.65292800    1.79517200    4.69866200
 H                 -2.37838400    3.24426400    5.03625600
 C                  2.76712900    1.96382800   -1.06616600
 C                  3.82011400    2.12521900   -0.13628100
 C                  4.82177000    1.15140400   -0.03602100
 C                  4.82907300    0.01546700   -0.85192100
 C                  3.78047400   -0.12779100   -1.77836200
 C                  2.75588300    0.81206800   -1.90039000
 C                  2.70535500    4.81046700    2.31257500
 H                  5.61573900    1.29007900    0.70062400
 H                  3.75761300   -1.01072100   -2.42103500
 C                  2.06723100    2.46284200    2.11659200
 H                  1.88190100    1.68096000    1.37077900
 H                  2.88400600    2.10264800    2.76534500
 H                  3.32506700    4.48468700    3.16565900
 H                  4.11425200    4.23966200    0.11625500
 H                  4.62333200    3.26055600    1.49984400
 H                  1.70808800    5.03723300    2.70691600
 C                 -1.06935400    5.51170300   -1.78539200
 C                 -2.85522900    3.75673800   -1.64288100
 H                 -0.74644700    6.51140400   -1.42502100
 C                 -1.18334600    5.59937600   -3.33981400
 C                 -1.98416200    4.44363700   -3.95461000
 C                 -3.15887200    3.84670200   -3.15411900
 H                 -1.22718000    3.65681300   -4.07073900
 H                 -3.34988900    2.83640800   -3.54155800
 H                 -4.06642500    4.42817900   -3.31335600
 O                 -3.24292300    8.68599300   -3.98584600
 C                 -2.35248000    9.83625100   -4.23417200
 C                 -1.59515400   10.26337000   -2.96001400
 H                 -3.12015300   10.59144700   -4.41538300
 C                 -0.09244400    9.08402100   -5.30176600
 C                 -0.21762300    9.63984100   -2.81448400
 C                  0.63109300    9.70167200   -4.08914600
 H                 -0.38391800    8.59466700   -2.52514900
 H                  0.87837100   10.75043000   -4.29032800
 H                  1.57491800    9.17005600   -3.92068400
 C                 -6.67349700    2.81573400   -3.98697600
 H                 -6.23906000    3.40324600   -4.80390400
 H                 -5.85674700    2.60841600   -3.28385300
 H                 -7.03875900    1.86019700   -4.38145000
 C                -11.32912300    2.95564300   -1.98298600
 H                -11.86424900    2.65171400   -2.89459800
 H                -11.16308900    2.04631400   -1.38823700
 H                -11.99471700    3.61214700   -1.40965800
 C                 -9.74716400   11.32745000   -7.62670700
 H                 -9.44617400   12.38469900   -7.60187300
 H                 -9.84448200   11.04474600   -8.68495700
 H                -10.74168500   11.25356200   -7.17057100
 C                 -7.39384800   11.25579700    2.32218200
 H                 -7.38105300   10.76143200    3.30277800
 H                 -6.79658800   12.17520700    2.41551800
 H                 -8.42737100   11.55516000    2.10895400
 C                 -3.97133500    7.86227300    0.78029600
 H                 -4.27622000    6.80881800    0.78328600
 H                 -3.17855600    7.93901900    0.03091900
 H                 -3.54682700    8.09768400    1.76241100
 C                 -5.00902700    9.59922000   -7.09121100
 H                 -4.38075400   10.11857100   -6.35616200
 H                 -4.62827800    8.57292600   -7.15046700
 H                 -4.87824400   10.09159000   -8.06188900
 C                  2.81270200    8.10388600   -1.48049800
 H                  2.98941200    7.35296000   -2.26354700
 H                  1.72629900    8.22650900   -1.42135100
 H                  3.26694400    9.05225800   -1.79205400
 C                  1.62160800    0.65173600   -2.87808200
 H                  0.65459300    0.65763400   -2.35770000
 H                  1.58725100    1.49721800   -3.57836200
 H                  1.71669900   -0.28067100   -3.44802500
 C                  6.08967000    8.57317400    2.37202700
 H                  6.82718900    8.93386600    1.64213300
 H                  5.72820400    9.45235100    2.92796000
 H                  6.61407200    7.92738200    3.08765800
 C                 -2.63767700    4.23667700    2.51668200
 H                 -2.37725000    5.24662000    2.17336300
 H                 -2.98636500    3.68530000    1.63526900
 H                 -3.46391800    4.31390600    3.23390300
 C                 -0.44061000    1.95219100    6.47350500
 H                 -0.90963800    2.69071900    7.13853100
 H                 -1.03229300    1.02681200    6.55113900
 H                  0.56041100    1.73496000    6.86712300
 C                  5.92459500   -1.02219900   -0.75238700
 H                  5.51335900   -2.03675400   -0.64959000
 H                  6.56700400   -1.02467200   -1.64638400
 H                  6.56903700   -0.83406600    0.11531000
 C                  0.19500200    5.70508400   -3.97754900
 H                  0.72908100    6.58771900   -3.61335900
 H                  0.76078900    4.82499400   -3.66640500
 H                  0.12145500    5.74146700   -5.07117400
 H                 -2.30055200    4.72100000   -4.96964400
 C                 -2.41937700    5.14355600   -1.14242300
 H                 -3.18367700    5.89679000   -1.36652700
 H                 -2.25867900    5.12137300   -0.06264400
 H                  0.30217900   10.12380500   -1.98069400
 C                 -1.48797600    9.71498200   -5.49048900
 H                 -1.37420000   10.74138600   -5.86064200
 H                 -2.05190700    9.16626500   -6.25281700
 C                 -2.44580700   10.18443600   -1.71051800
 H                 -3.39470000   10.71354500   -1.83318300
 H                 -2.67901600    9.13673100   -1.50151100
 H                 -1.90587600   10.60214900   -0.85589300
 Cl                -1.30408900   12.16795600   -3.27602400
 C                  3.31210400    6.02283700    1.66771300
 C                 -4.02435000    3.15867400   -0.88295700
 C                 -4.02562900    1.85770300   -0.55119700
 C                 -5.17487100    4.06273400   -0.52148400
 H                 -4.86764900    1.40220600   -0.02983600
 H                 -3.17562700    1.21608600   -0.78084500
 H                 -4.87690800    4.75510500    0.27837300
 H                 -5.48113200    4.67614900   -1.37220500
 H                 -6.04172000    3.49115600   -0.17111200
 H                 -1.99218100    3.09582600   -1.50422200
 C                  0.44994353    7.92640284   -6.16044869
 C                 -0.41220680    7.07087328   -6.72867331
 C                  1.94137332    7.77873699   -6.34473045
 H                 -1.48653998    7.16864761   -6.58251892
 H                 -0.07143027    6.24525952   -7.35287075
 H                  2.40807732    8.72019944   -6.66548193
 H                  2.42786019    7.49643906   -5.40088544
 H                  2.17316438    7.00923175   -7.08915974
 H                  0.25279606    9.90301116   -5.89755491
   
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        


