%chk=Int3b-trans.chk
%nprocshared=8
%mem=30GB
#p opt freq=noraman b97d3/gen pseudo=read nosymm

Int3b-trans

-1 1
 Al                -4.72273400    7.55746900   -3.52293300
 N                 -6.42204900    7.49022600   -2.14542100
 O                 -3.66374100    7.85336200   -2.06694700
 O                 -5.26773800    5.91205500   -4.11436400
 O                 -3.18442300    7.39486100   -4.59250600
 O                 -5.49493100    8.97472500   -4.37052800
 C                 -3.81222300    8.07671000   -0.76011700
 C                 -2.67039800    8.02883800    0.08033700
 C                 -2.83257000    8.21241800    1.45572800
 C                 -4.08512500    8.43255700    2.04620300
 C                 -5.19943600    8.48763600    1.20081800
 C                 -5.07827700    8.33752600   -0.18620900
 H                 -1.95088700    8.14826200    2.09457000
 H                 -6.19008800    8.66470100    1.62500900
 C                 -6.63027800    9.65416500   -4.21263700
 C                 -7.73565500    9.14494200   -3.49014900
 C                 -8.88880400    9.92674500   -3.33519100
 C                 -8.99962200   11.20217700   -3.89582200
 C                 -7.89692700   11.69119000   -4.61772900
 C                 -6.72456000   10.95271900   -4.78313700
 C                 -6.46798200    6.12855600   -1.52292400
 H                 -9.72188600    9.51860100   -2.75967600
 H                 -7.95008400   12.68873900   -5.05873700
 C                 -6.18012300    5.01580900   -3.76351800
 C                 -6.81588400    5.03948900   -2.50091500
 C                 -7.76570900    4.06150300   -2.18142100
 C                 -8.10641500    3.04233400   -3.07804000
 C                 -7.47974800    3.04517900   -4.33643500
 C                 -6.53296500    4.00525600   -4.69789800
 C                 -6.27292400    8.52593300   -1.07739200
 H                 -8.24963400    4.10018700   -1.20372900
 H                 -7.73599000    2.26794800   -5.05891700
 C                 -7.67967700    7.75788000   -2.91069000
 H                 -7.73187000    7.00674200   -3.70626700
 H                 -8.54493400    7.59044300   -2.24756400
 H                 -7.19589900    8.54469900   -0.47303700
 H                 -5.48049600    5.95921300   -1.07872500
 H                 -7.19669400    6.13643400   -0.69573100
 H                 -6.20983300    9.49088500   -1.59481600
 C                 -1.99657500    7.87820500   -4.47997000
 O                 -0.95659700    7.25551300   -4.29451300
 Al                 0.55295800    4.16138700   -0.30209400
 N                  1.58521200    4.76224700    1.43591500
 O                  1.20666700    5.57959300   -1.22524700
 O                  1.51647000    2.62812400   -0.41853800
 O                 -0.52824800    3.53868100   -1.81664000
 O                 -1.02498600    4.23065000    0.59188800
 C                  1.89881000    6.67539600   -0.87444000
 C                  2.46813300    7.48337100   -1.89293200
 C                  3.16033000    8.64073100   -1.52932900
 C                  3.34298400    9.02823900   -0.19199700
 C                  2.80946700    8.19889900    0.79654400
 H                  3.57531700    9.26365900   -2.32318100
 H                  2.93995000    8.46106500    1.84783900
 C                 -1.37775100    4.51905500    1.85333400
 C                 -0.43448700    4.50384800    2.90543000
 C                 -0.82601700    4.85402000    4.20479800
 C                 -2.14840800    5.19449400    4.50262000
 C                 -3.07424800    5.18952500    3.44638700
 C                 -2.72465800    4.86516200    2.13359900
 C                  3.02906000    4.38314900    1.30905500
 H                 -0.07603200    4.85331500    4.99779900
 H                 -4.10818900    5.47125900    3.64633200
 C                  2.48589900    2.11039600    0.34232900
 C                  3.25090200    2.89549100    1.23512600
 C                  4.23270600    2.28495300    2.02828700
 C                  4.49888600    0.91489000    1.94869100
 C                  3.73381600    0.15291100    1.04813500
 C                  2.73639500    0.71693700    0.25132700
 C                  1.44812500    6.24702600    1.58374700
 H                  4.80415300    2.90399700    2.72198100
 H                  3.91578400   -0.92089900    0.97306700
 C                  0.98258900    4.08300700    2.63046900
 H                  1.04236600    3.00498600    2.43598500
 H                  1.61687700    4.29054700    3.50706800
 H                  1.87600900    6.54229600    2.55493200
 H                  3.39932100    4.88100300    0.40460300
 H                  3.58039400    4.80712000    2.16341700
 H                  0.37228700    6.45054700    1.63154500
 C                 -1.22061500    4.38814000   -2.82161800
 C                 -3.33162700    2.93334200   -3.24118000
 H                 -0.80663200    5.39260800   -2.85499900
 C                 -0.34006100    3.28063500   -3.26249200
 C                 -1.00217800    1.98018000   -3.70300700
 C                 -2.41223300    2.21883300   -4.26093700
 H                 -1.04744100    1.30820800   -2.83804600
 H                 -2.85480800    1.26370800   -4.57184100
 H                 -2.34242800    2.84772100   -5.16121100
 O                 -2.00984000    9.25735800   -4.66114500
 C                 -1.38095200   11.40033700   -5.05519300
 C                 -0.75973200   10.03098000   -4.69438400
 H                 -2.12182600   11.66123600   -4.29905900
 C                 -1.08097500   10.88735800   -7.58639100
 C                  0.19306300    9.51767500   -5.81147600
 C                  0.29775900   10.43002700   -7.04011600
 H                 -0.14630600    8.52543400   -6.11224900
 H                  0.88262400   11.32122800   -6.79244100
 H                  0.84719600    9.89864300   -7.82865300
 C                 -5.86691900    4.01577700   -6.04844500
 H                 -6.09335900    4.94483800   -6.58870300
 H                 -4.77419500    3.99073900   -5.94728400
 H                 -6.19021400    3.16216300   -6.65627700
 C                 -9.08493500    1.95471300   -2.69889100
 H                 -9.72832600    1.67877600   -3.54518700
 H                 -8.56463800    1.04011300   -2.37455600
 H                 -9.73317500    2.27191500   -1.87239300
 C                -10.25314800   12.03210500   -3.73507900
 H                -10.03172400   13.02115700   -3.30857400
 H                -10.75404100   12.20257300   -4.69992000
 H                -10.97296300   11.53673100   -3.07197600
 C                 -4.21530000    8.62719800    3.53909800
 H                 -3.40162100    8.11868300    4.06914900
 H                 -4.17815000    9.69219600    3.81655200
 H                 -5.16602900    8.22581300    3.91505000
 C                 -1.32669900    7.70952500   -0.51258700
 H                 -1.14938100    6.62776600   -0.49101000
 H                 -1.27145300    8.01295500   -1.55813400
 H                 -0.51458900    8.19034100    0.04376000
 C                 -5.53674900   11.48912300   -5.53435800
 H                 -4.64875500   11.49920900   -4.89022900
 H                 -5.28458200   10.84183100   -6.38439500
 H                 -5.72139200   12.50497700   -5.90362300
 C                  2.32598900    7.08326300   -3.33713700
 H                  2.85437700    6.13948000   -3.53173900
 H                  1.27825600    6.93709700   -3.61726600
 H                  2.75285300    7.85067000   -3.99288100
 C                  1.90210600   -0.10175400   -0.69888600
 H                  0.83305400    0.01380300   -0.47775400
 H                  2.03467700    0.24201400   -1.73366900
 H                  2.16619300   -1.16440900   -0.64365700
 C                  4.07747300   10.30334700    0.15298300
 H                  5.04193100   10.36724200   -0.36976400
 H                  3.49418600   11.19018900   -0.13458200
 H                  4.27320300   10.37031000    1.23013600
 C                 -3.74038100    4.89796400    1.02578300
 H                 -3.37181000    5.49986400    0.19021700
 H                 -3.94155200    3.89467200    0.63045500
 H                 -4.67729700    5.34334800    1.37480300
 C                 -2.57854700    5.53851300    5.91052600
 H                 -3.22104500    6.42899600    5.92824800
 H                 -3.15157700    4.71833800    6.36886500
 H                 -1.71231400    5.73508900    6.55439300
 C                  5.56751900    0.26540400    2.79854700
 H                  5.15956500   -0.56133800    3.39751300
 H                  6.37636800   -0.15252600    2.18130700
 H                  6.01803200    0.98768000    3.48996700
 C                  1.04391100    3.55666100   -3.78274100
 H                  1.44872800    4.46311800   -3.33244900
 H                  1.70633200    2.71173000   -3.55637300
 H                  0.99552400    3.68648900   -4.87172300
 H                 -0.36989600    1.49843200   -4.45987400
 C                 -2.71709200    4.30155000   -2.86338900
 H                 -3.01727500    5.03031500   -3.62569200
 H                 -3.12335600    4.67014400   -1.91598800
 H                  1.19196700    9.37632500   -5.38402500
 C                 -1.97834700   11.45039400   -6.44910800
 H                 -2.27897500   12.47985300   -6.66950700
 H                 -2.89887000   10.86660600   -6.38342000
 C                 -0.11836600   10.02954800   -3.30908300
 H                 -0.83736200   10.37909800   -2.55923200
 H                  0.19422500    9.01784200   -3.05232800
 H                  0.75591400   10.68649700   -3.29473800
 C                  2.08533700    7.04119600    0.47767600
 Cl                -0.10433800   12.80874000   -4.84457400
 C                 -3.72445100    1.99964100   -2.10420800
 C                 -3.11414400    1.95487100   -0.91156300
 C                 -4.89734900    1.10187300   -2.42321900
 H                 -3.45128900    1.25346100   -0.14701800
 H                 -2.29202200    2.61045900   -0.65098500
 H                 -5.80411200    1.70354000   -2.57302400
 H                 -4.73690700    0.54393400   -3.35814000
 H                 -5.08195100    0.37858200   -1.62011400
 H                 -4.26461600    3.16389600   -3.76693800
 C                 -1.05306443   11.66283773   -8.91659857
 C                 -2.20799913   12.04191318   -9.48208591
 C                  0.27595604   11.98304795   -9.56142106
 H                 -3.18196800   11.81789786   -9.05746984
 H                 -2.20839501   12.58849976  -10.42471046
 H                  0.88246303   12.62476128   -8.90322208
 H                  0.86660726   11.07184089   -9.73799267
 H                  0.14715886   12.49626922  -10.52103196
 H                 -1.53379891    9.99411667   -7.96318064
   
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        


