%chk=Int3a-trans.chk
%nprocshared=12
%mem=22GB
#p opt freq=noraman b97d3/gen pseudo=read nosymm

Int3a-trans

-1 1
 Al                -5.15183200    7.05685700   -2.69456600
 N                 -6.89847400    7.33575800   -1.49522400
 O                 -4.09747100    7.63649900   -1.33574000
 O                 -5.65779500    5.34297200   -3.04194100
 O                 -3.45689600    6.61737000   -3.63015700
 O                 -5.71378500    8.27737200   -3.91878300
 C                 -4.30894800    7.89665600   -0.03614900
 C                 -3.21722500    7.83493700    0.86227900
 C                 -3.46513600    7.97644100    2.22934000
 C                 -4.75061400    8.21012300    2.74326000
 C                 -5.80082200    8.35535300    1.83020400
 C                 -5.59213400    8.22382600    0.45087100
 H                 -2.62722600    7.87437300    2.91926200
 H                 -6.80661300    8.57691200    2.19223300
 C                 -6.73537900    9.14125200   -3.90861600
 C                 -7.91140800    8.91352800   -3.15711300
 C                 -8.93734800    9.86829100   -3.15896700
 C                 -8.84954300   11.04462000   -3.90870100
 C                 -7.68048400   11.24893400   -4.66146500
 C                 -6.62874800   10.33088000   -4.67513200
 C                 -7.14279800    6.07542200   -0.71777600
 H                 -9.82871900    9.67815500   -2.55863600
 H                 -7.58128300   12.16232100   -5.25112900
 C                 -6.75073200    4.63059600   -2.73852600
 C                 -7.52459900    4.91628500   -1.58963200
 C                 -8.65499800    4.14734500   -1.29091300
 C                 -9.05448700    3.08305800   -2.10490500
 C                 -8.30251900    2.83985600   -3.26455400
 C                 -7.17346400    3.59098000   -3.60694600
 C                 -6.69907800    8.46869900   -0.53322700
 H                 -9.23712500    4.39600200   -0.40198900
 H                 -8.61679100    2.04296500   -3.94113300
 C                 -8.06538600    7.63173700   -2.38742100
 H                 -8.15813100    6.78007300   -3.07089700
 H                 -8.98063400    7.65986900   -1.77477300
 H                 -7.64984800    8.64914000   -0.00587600
 H                 -6.21897400    5.87695300   -0.16567000
 H                 -7.93212200    6.26855300    0.02587800
 H                 -6.48746000    9.35575700   -1.14266700
 C                 -2.44322200    7.28209600   -3.89648400
 O                 -1.26876200    6.78621600   -4.14924200
 Al                 0.52497700    4.40501600   -0.35109200
 N                  1.31883800    4.69418200    1.72227700
 O                  1.24898900    6.07814000   -0.69716100
 O                  1.65132800    2.96644300   -0.47453500
 O                 -0.11370800    4.17373400   -2.04153300
 O                 -1.12833200    4.19273100    0.45694000
 C                  1.90699800    7.01412600   -0.01916600
 C                  2.74788600    7.91816100   -0.72467900
 C                  3.39691600    8.94108000   -0.02905600
 C                  3.28567800    9.09362900    1.36263600
 C                  2.52273000    8.14613200    2.05300000
 H                  4.02899700    9.63210400   -0.59060400
 H                  2.45668000    8.19931200    3.14147700
 C                 -1.64126100    4.24062500    1.68609700
 C                 -0.83078900    4.09352400    2.83685100
 C                 -1.38295500    4.24255400    4.11382900
 C                 -2.74504700    4.50625500    4.29742600
 C                 -3.54821800    4.58555300    3.14956100
 C                 -3.03549200    4.44431800    1.85709300
 C                  2.78574900    4.40864400    1.73633700
 H                 -0.72725700    4.15033100    4.98206600
 H                 -4.61656200    4.77631100    3.26145500
 C                  2.52587900    2.34926300    0.30906200
 C                  3.11456000    2.97305300    1.43410500
 C                  4.01404900    2.26061300    2.23857100
 C                  4.37455700    0.94061000    1.95164100
 C                  3.78823800    0.33656800    0.82471600
 C                  2.87683800    1.00458200    0.00603200
 C                  1.06369600    6.09738300    2.16766800
 H                  4.44339300    2.75880200    3.11019600
 H                  4.04649200   -0.69656300    0.58176400
 C                  0.62129400    3.76028200    2.65755800
 H                  0.74101800    2.75196700    2.24440600
 H                  1.13810000    3.77838600    3.63233000
 H                  1.30633700    6.18187100    3.24086500
 H                  3.24233000    5.07365100    0.99416800
 H                  3.19539400    4.69104800    2.72139900
 H                 -0.01446300    6.25806600    2.07051700
 C                 -1.25176700    4.74234200   -2.59554600
 C                 -2.78772200    2.91303300   -3.76228300
 H                 -1.54750900    5.64581700   -2.03635600
 C                 -0.91078600    5.26048600   -4.05592800
 C                 -1.58130300    4.55032700   -5.24447800
 C                 -2.91832400    3.86202900   -4.97532400
 H                 -0.86541900    3.78066600   -5.56264000
 H                 -3.22220400    3.31772300   -5.87966400
 H                 -3.69969300    4.59108200   -4.75418500
 O                 -2.54439900    8.60890200   -3.90002700
 C                 -1.71889600    9.59285000   -4.62611800
 C                 -0.27457500    9.75580400   -4.08609500
 H                 -2.25870500   10.49613000   -4.33966100
 C                 -0.75030800    8.52052400   -6.78595600
 C                  0.80174500    8.99958800   -4.85105700
 C                  0.64598700    9.02828000   -6.37312400
 H                  0.74308500    7.96309700   -4.51001000
 H                  0.80205200   10.05043200   -6.74093900
 H                  1.41619700    8.39259200   -6.82804400
 C                 -6.43025400    3.33500000   -4.89114100
 H                 -6.16453000    4.27818600   -5.38155500
 H                 -5.48907900    2.80251000   -4.71105700
 H                 -7.03608500    2.73090300   -5.57711000
 C                -10.24585200    2.22290000   -1.75100500
 H                -10.80420700    1.92263400   -2.64754300
 H                 -9.93785100    1.30027600   -1.23601900
 H                -10.93721900    2.75391100   -1.08471500
 C                 -9.96550900   12.06455100   -3.91571000
 H                 -9.60314400   13.06131700   -3.62641500
 H                -10.41770200   12.16286200   -4.91364800
 H                -10.76270300   11.78344700   -3.21708100
 C                 -4.99069800    8.25832700    4.23422900
 H                 -5.07739400    7.24480100    4.65308700
 H                 -4.16262200    8.75258200    4.75880000
 H                 -5.91571700    8.79766100    4.47535500
 C                 -1.83579700    7.59069900    0.32565800
 H                 -1.67402600    6.52915000    0.10811700
 H                 -1.68865200    8.13007400   -0.61332600
 H                 -1.06955800    7.91330300    1.03749800
 C                 -5.36944200   10.57012900   -5.46361200
 H                 -4.49980400   10.59734000   -4.79608800
 H                 -5.18775000    9.74894000   -6.16893000
 H                 -5.42038800   11.51315000   -6.02017900
 C                  2.96115000    7.70571500   -2.19757300
 H                  3.45237900    6.74035000   -2.38370700
 H                  2.00839300    7.66567900   -2.72955900
 H                  3.57671800    8.50331400   -2.63096800
 C                  2.23562600    0.35249400   -1.19024100
 H                  1.14234400    0.34000500   -1.09114900
 H                  2.44184700    0.92480100   -2.10407900
 H                  2.59464300   -0.67576600   -1.32187200
 C                  3.96661000   10.23589600    2.08096700
 H                  4.95111000   10.45446300    1.64559600
 H                  3.37415900   11.16212600    2.02327200
 H                  4.11202100   10.00739100    3.14449100
 C                 -3.93632600    4.48186000    0.65475300
 H                 -3.62578500    5.24564200   -0.06415600
 H                 -3.91582900    3.52602600    0.11723200
 H                 -4.96785000    4.68459700    0.96174400
 C                 -3.32277200    4.73260700    5.67605100
 H                 -3.26000600    5.79109500    5.97307000
 H                 -4.38213700    4.44769600    5.71676200
 H                 -2.78761100    4.14899600    6.43680000
 C                  5.35733200    0.18171800    2.81458600
 H                  4.92772300   -0.75961000    3.18773300
 H                  6.26963800   -0.08055300    2.25767600
 H                  5.66153900    0.77629600    3.68500900
 C                  0.59245500    5.32237300   -4.26580100
 H                  1.07042900    5.88549300   -3.46327100
 H                  0.97872600    4.30286500   -4.20759400
 H                  0.82412400    5.75122300   -5.25030000
 H                 -1.66103200    5.26224700   -6.07719000
 C                 -2.46562400    3.77476700   -2.53108500
 H                 -3.36414000    4.37125800   -2.34734100
 H                 -2.29672700    3.15208900   -1.64951500
 H                  1.77978300    9.38561100   -4.54727500
 C                 -1.82415200    9.42105300   -6.14513300
 H                 -1.73647000   10.43050700   -6.56510900
 H                 -2.83186900    9.06191400   -6.38092000
 C                 -0.17241300    9.60325000   -2.58280100
 H                 -0.94888300   10.17728000   -2.06946000
 H                 -0.29016200    8.54536400   -2.32287800
 H                  0.80969000    9.92538900   -2.22700000
 Cl                 0.06417900   11.64799200   -4.46373500
 C                  1.84042700    7.11862100    1.39021500
 C                 -1.88308000    1.72514100   -4.05753500
 C                 -0.67020400    1.54621100   -3.51306700
 C                 -2.46340500    0.71673600   -5.02625700
 H                 -0.08332800    0.66105000   -3.76635600
 H                 -0.23681700    2.26386800   -2.81708200
 H                 -3.43126200    0.33625700   -4.66424600
 H                 -2.65614000    1.16210900   -6.01373800
 H                 -1.78881900   -0.13590000   -5.16707100
 H                 -3.78887000    2.48979800   -3.57762000
 C                 -1.03117258    7.26589240   -7.63366742
 C                 -2.30001531    6.88204463   -7.83659649
 C                  0.12823925    6.49480882   -8.21819834
 H                 -3.13552982    7.44082482   -7.41770581
 H                 -2.54246875    5.99753654   -8.42498395
 H                  0.67457021    7.09519902   -8.95910819
 H                  0.85465603    6.21469031   -7.44343808
 H                 -0.21606646    5.58053048   -8.71359294
 H                 -0.71231068    9.19806078   -7.61324079
   
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        


