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

Int3a-cis

-1 1
 Al                -5.84584200    7.69501200   -3.65556000
 N                 -7.85755100    8.51748600   -3.44155100
 O                 -5.41415200    8.66601900   -2.14944200
 O                 -6.49725200    6.02487800   -3.33225900
 O                 -4.03255600    7.12433900   -3.70039500
 O                 -5.89208500    8.18765700   -5.41072200
 C                 -6.00444400    9.56246100   -1.36387800
 C                 -5.46010800    9.81752300   -0.07652300
 C                 -6.06773400   10.77716800    0.73724900
 C                 -7.21430400   11.48673900    0.34339200
 C                 -7.75633800   11.19506000   -0.91295200
 C                 -7.16547000   10.25867200   -1.76943600
 H                 -5.63803900   10.96997200    1.72209500
 H                 -8.66156900   11.70933300   -1.24142500
 C                 -6.68961600    8.93395900   -6.16954200
 C                 -8.06013800    9.10049200   -5.86837800
 C                 -8.86055200    9.92825300   -6.66554300
 C                 -8.34407600   10.58680400   -7.78602100
 C                 -6.98471400   10.39050900   -8.08821300
 C                 -6.15065400    9.58154600   -7.31359100
 C                 -8.55305800    7.79518600   -2.33155900
 H                 -9.91261600   10.05413600   -6.40230600
 H                 -6.55788400   10.89526100   -8.95753000
 C                 -7.70837100    5.52815500   -3.07115100
 C                 -8.77733200    6.33497800   -2.61456400
 C                -10.03294800    5.76125200   -2.37159300
 C                -10.26531600    4.39393300   -2.54238900
 C                 -9.18808200    3.60300000   -2.97622200
 C                 -7.92501100    4.13467300   -3.24338300
 C                 -7.75325100    9.97898500   -3.12436000
 H                -10.84525500    6.40706400   -2.03300500
 H                 -9.33925000    2.53077300   -3.11621700
 C                 -8.63483300    8.34122400   -4.70865200
 H                 -8.63977300    7.26509900   -4.91860500
 H                 -9.67937700    8.64589800   -4.52834300
 H                 -8.75579600   10.43155300   -3.19818500
 H                 -7.93298500    7.92136400   -1.43711200
 H                 -9.51661200    8.29228200   -2.13116400
 H                 -7.14176300   10.42437300   -3.91971800
 C                 -2.99710000    7.88879100   -3.72180600
 O                 -1.89242600    7.63699600   -3.24991200
 Al                 1.10143629    4.28655559   -0.28690080
 N                  2.83629229    3.72300659    0.80172520
 O                  1.54560129    6.04651259   -0.17724380
 O                  1.64175529    3.30828859   -1.71751580
 O                 -0.53228371    4.70119359   -1.25809880
 O                  0.03787729    3.57661459    0.99851820
 C                  2.57631629    6.70391759    0.37312120
 C                  2.83762629    8.03500559   -0.04237580
 C                  3.92534129    8.71571859    0.50910020
 C                  4.77973429    8.13287359    1.46017720
 C                  4.50124329    6.82406559    1.86189820
 H                  4.11759729    9.73811459    0.17938420
 H                  5.13963229    6.34089459    2.60347020
 C                  0.27013029    2.96179459    2.16111120
 C                  1.51788029    2.37158959    2.46106320
 C                  1.71900829    1.76263559    3.70773220
 C                  0.70340829    1.70011959    4.66598620
 C                 -0.53451571    2.28540659    4.34511320
 C                 -0.77273071    2.91556259    3.12222320
 C                  4.01113729    3.65985959   -0.12800280
 H                  2.69402229    1.32362759    3.92668520
 H                 -1.34112471    2.25556759    5.07992820
 C                  2.69037629    2.50951259   -1.94267380
 C                  3.87995529    2.59955759   -1.18621080
 C                  4.93865029    1.71821859   -1.44510080
 C                  4.86303529    0.75450059   -2.45475580
 C                  3.67384829    0.68461559   -3.20123680
 C                  2.59027629    1.53335759   -2.96697580
 C                  3.09264229    4.73832459    1.87421320
 H                  5.84414829    1.79522559   -0.84083180
 H                  3.58557929   -0.06614541   -3.98863780
 C                  2.60879129    2.37611059    1.42589520
 H                  2.37051529    1.69250759    0.60173720
 H                  3.55608729    2.03191259    1.87048820
 H                  3.91614329    4.37716759    2.51087320
 H                  4.10009429    4.65576559   -0.57931980
 H                  4.92238329    3.49127359    0.46770820
 H                  2.19055629    4.76174959    2.49736920
 C                 -1.66646991    6.44989518   -2.18603442
 C                 -3.35514271    4.48381359   -1.17369880
 H                 -0.67683606    6.81000556   -1.91582764
 C                 -0.92200371    5.24688259   -2.59774580
 C                 -1.92040971    4.34181359   -3.29672080
 C                 -3.34685671    4.37246159   -2.71592180
 H                 -1.50083371    3.32665559   -3.26396880
 H                 -3.87345871    3.46049059   -3.01947780
 H                 -3.88971371    5.22377359   -3.14003780
 O                 -3.27560200    9.08575200   -4.37097900
 C                 -2.31220100   10.13383500   -4.65584000
 C                 -1.94750200   10.95101500   -3.39453000
 H                 -2.92988900   10.79184800   -5.27333900
 C                  0.17164700    9.27427100   -4.74509900
 C                 -0.69288600   10.47526600   -2.67875100
 C                  0.50036500   10.27415200   -3.61906000
 H                 -0.95978100    9.51524100   -2.21783400
 H                  0.78006500   11.24765400   -4.03894100
 H                  1.36055400    9.90312300   -3.04955200
 C                 -6.77624800    3.26444000   -3.67839400
 H                 -6.19991700    3.74646900   -4.47579900
 H                 -6.08137600    3.10212100   -2.84411600
 H                 -7.13159000    2.28569500   -4.02314000
 C                -11.62377200    3.78262000   -2.28398600
 H                -12.06579100    3.37259800   -3.20433500
 H                -11.56416400    2.95712300   -1.56016000
 H                -12.32307800    4.52679400   -1.88352300
 C                 -9.21022400   11.47430000   -8.65130800
 H                 -8.77151800   12.47541500   -8.77038700
 H                 -9.33827400   11.05684600   -9.66140300
 H                -10.20954200   11.59786000   -8.21606400
 C                 -7.82575400   12.53991000    1.23926200
 H                 -7.79235900   12.23863600    2.29483600
 H                 -7.29191800   13.49938000    1.15894200
 H                 -8.87446200   12.72665300    0.97558800
 C                 -4.26994700    9.02150000    0.39244500
 H                 -4.55218200    7.97830600    0.58743800
 H                 -3.48299900    8.98328700   -0.36888100
 H                 -3.85186800    9.44227500    1.31455100
 C                 -4.69967900    9.36101700   -7.65269600
 H                 -4.09094700    9.37428400   -6.74454800
 H                 -4.55161800    8.36789700   -8.10236900
 H                 -4.33559500   10.11572300   -8.36042800
 C                  1.94443329    8.67921359   -1.06901180
 H                  2.02436029    8.17689259   -2.04178980
 H                  0.88946129    8.61799959   -0.77599780
 H                  2.20519629    9.73410359   -1.20726380
 C                  1.31136629    1.44037759   -3.75689080
 H                  0.45196829    1.28653159   -3.09154980
 H                  1.11324729    2.37483659   -4.29809880
 H                  1.35223529    0.61861559   -4.48115380
 C                  5.94977829    8.90411459    2.02736520
 H                  6.62124829    9.25994559    1.23313220
 H                  5.61512829    9.78930759    2.58736820
 H                  6.54052929    8.28230259    2.71071220
 C                 -2.09327971    3.55844059    2.78962120
 H                 -1.96695271    4.63184159    2.59414620
 H                 -2.52426471    3.13646959    1.87369720
 H                 -2.81272771    3.43357259    3.60696720
 C                  0.91614029    1.02167559    6.00033120
 H                  0.63092329    1.67654659    6.83560220
 H                  0.31306229    0.10582359    6.08807420
 H                  1.96708329    0.74030059    6.13928720
 C                  6.01711629   -0.17767641   -2.74612680
 H                  5.68921329   -1.22587841   -2.78257880
 H                  6.48357729    0.04846059   -3.71644680
 H                  6.79604629   -0.09691741   -1.97829280
 C                  0.23239329    5.74478059   -3.42152880
 H                  0.93311929    6.31755059   -2.80934680
 H                  0.76465229    4.90004359   -3.87240480
 H                 -0.16995071    6.39464359   -4.20273280
 H                 -1.95355671    4.63960459   -4.35194680
 C                 -2.70480171    5.82693159   -0.79103880
 H                 -3.28703671    6.66439159   -1.19501180
 H                 -2.65401471    5.94221259    0.30021620
 H                 -0.44577900   11.18376400   -1.87846900
 C                 -1.10250900    9.70673700   -5.50706600
 H                 -0.86362600   10.57104400   -6.13949800
 H                 -1.42581800    8.90222800   -6.17811400
 C                 -3.13340700   11.18467300   -2.48507000
 H                 -3.97318200   11.62235500   -3.03258500
 H                 -3.46942800   10.22351800   -2.08875100
 H                 -2.86223200   11.84418300   -1.65493000
 Cl                -1.50602700   12.72496900   -4.12726700
 C                  3.40985029    6.11027659    1.34741120
 C                 -4.74983171    4.30742359   -0.60075680
 C                 -5.12251471    3.12166959   -0.09324780
 C                 -5.69097771    5.48169459   -0.65168780
 H                 -6.13159171    2.95545959    0.28248520
 H                 -4.43037971    2.28087459   -0.05041280
 H                 -5.39384871    6.24702459    0.07955120
 H                 -5.68117971    5.95874259   -1.63609680
 H                 -6.71953271    5.17901959   -0.42817580
 H                 -2.72548771    3.68335559   -0.76512180
 C                  1.33422300    9.07720400   -5.70319600
 C                  1.78961300    7.84705700   -5.98498400
 C                  1.96241600   10.30311700   -6.32424500
 H                  1.35112800    6.96201100   -5.52826200
 H                  2.61444500    7.68793400   -6.67984400
 H                  1.20895100   10.95700800   -6.78335000
 H                  2.47633300   10.90809100   -5.56439200
 H                  2.69424200   10.02782600   -7.09215500
 H                 -0.04426600    8.31498800   -4.27229500
   
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        


