%chk=Int3b-trans.chk
%nprocshared=8
%mem=22GB
#p opt freq=noraman b97d3/gen pseudo=read nosymm

Int3b-trans

-1 1
 Al                -5.20712153    7.55154370   -3.58019289
 N                 -6.83539390    8.62497307   -2.58326003
 O                 -4.12461600    8.26017470   -2.27263931
 O                 -6.01283736    5.96707134   -3.18064558
 O                 -3.63694402    6.75935382   -4.30195327
 O                 -5.78082200    8.25189541   -5.15909940
 C                 -4.23853539    9.11341615   -1.25562348
 C                 -3.26269448    9.08501359   -0.22553092
 C                 -3.35871057   10.00032744    0.82570088
 C                 -4.40595294   10.93288177    0.92067272
 C                 -5.38689498   10.90906398   -0.07695121
 C                 -5.31409564   10.02206890   -1.15846735
 H                 -2.59735180    9.97353088    1.60746479
 H                 -6.23347208   11.59567490   -0.01625498
 C                 -6.62185977    9.21847528   -5.51668657
 C                 -7.74164586    9.55485095   -4.72408199
 C                 -8.58998259   10.59925439   -5.11416392
 C                 -8.37218490   11.31407870   -6.29690514
 C                 -7.26872129   10.94722844   -7.08850017
 C                 -6.39499096    9.91795186   -6.73089904
 C                 -7.21580134    7.84854020   -1.35700585
 H                 -9.43970443   10.85376453   -4.47756206
 H                 -7.08022537   11.49165582   -8.01646952
 C                 -7.18108026    5.65966177   -2.61821969
 C                 -7.82125633    6.51027909   -1.68582848
 C                 -9.03337720    6.11906042   -1.10092476
 C                 -9.63875957    4.89633992   -1.40550050
 C                 -9.01481480    4.08599450   -2.37053003
 C                 -7.81920258    4.44686731   -2.99493041
 C                 -6.37669837   10.00547065   -2.21912298
 H                 -9.51259919    6.79573402   -0.39093157
 H                 -9.49050991    3.14779244   -2.66369868
 C                 -8.01695932    8.73576182   -3.49596461
 H                 -8.29290019    7.71303828   -3.77567100
 H                 -8.86257044    9.16148516   -2.92929130
 H                 -7.24726478   10.59723085   -1.89061467
 H                 -6.30540052    7.73750686   -0.75864325
 H                 -7.92445549    8.44838885   -0.76261119
 H                 -6.01388736   10.46220611   -3.14923048
 C                 -2.52556238    7.36540439   -4.53440903
 O                 -1.40426991    6.98159694   -4.22495515
 Al                 0.73084272    4.18678645   -0.01263215
 N                  2.04632372    4.03962945    1.65242285
 O                  0.74181672    6.00323045    0.09155685
 O                  1.95111072    3.35822945   -1.07660015
 O                 -0.51341128    4.16711545   -1.48321315
 O                 -0.52899128    3.26434045    0.92373785
 C                  1.35336872    6.87588745    0.90510885
 C                  1.52074572    8.21655645    0.47470685
 C                  2.15242672    9.12593845    1.32688285
 C                  2.64969272    8.76305545    2.58992585
 C                  2.49544972    7.43149145    2.98502785
 H                  2.26975072   10.15668045    0.98794785
 H                  2.87836872    7.10796545    3.95426785
 C                 -0.57891328    2.70861345    2.13622885
 C                  0.58641272    2.40982345    2.87700885
 C                  0.47561072    1.85924545    4.16096385
 C                 -0.76736228    1.56718545    4.72875185
 C                 -1.91651028    1.85660945    3.97100085
 C                 -1.85049028    2.42128645    2.69614385
 C                  3.45236072    4.28088445    1.19608085
 H                  1.38708172    1.64889745    4.72344885
 H                 -2.89926428    1.64207945    4.39462885
 C                  3.17019972    2.85423945   -0.86321115
 C                  3.96036772    3.23212845    0.24687985
 C                  5.21942472    2.64828145    0.43533485
 C                  5.73873372    1.70775445   -0.45998015
 C                  4.94040372    1.34503645   -1.55780015
 C                  3.67250472    1.88955445   -1.77461915
 C                  1.65118472    5.08117045    2.65758485
 H                  5.80679572    2.94439645    1.30612385
 H                  5.31481072    0.60147945   -2.26374115
 C                  1.93421672    2.67406745    2.26789985
 H                  2.14780672    1.95834645    1.46487985
 H                  2.72581172    2.56157245    3.02597085
 H                  2.22846172    4.91296745    3.58022285
 H                  3.45526572    5.26993845    0.72222885
 H                  4.10594972    4.34709545    2.08063485
 H                  0.59801272    4.89350745    2.89671185
 C                 -1.48668228    5.19605845   -1.92058415
 C                 -3.10051628    3.31829045   -2.39205015
 H                 -1.26087528    6.17034545   -1.49958815
 C                 -0.55057570    4.66637209   -2.88658822
 C                 -1.00043828    3.56480845   -3.85831915
 C                 -2.51035528    3.26730545   -3.81481015
 H                 -0.41392928    2.67529145   -3.58223015
 H                 -2.67979228    2.29026445   -4.28009015
 H                 -3.04603228    4.01224945   -4.41665915
 O                 -2.73456938    8.52777903   -5.26237794
 C                 -2.35045607   10.00370290   -6.65854042
 C                 -2.28189108    9.97764055   -5.32054954
 H                 -3.23484091   10.58964842   -6.79793664
 C                 -0.58398539    8.98842227   -7.82207158
 C                 -0.76439454    9.90090256   -5.36196849
 C                  0.25506925    9.66972129   -6.70766351
 H                 -1.03427755    8.94500955   -4.90499604
 H                  0.58495674   10.64601936   -7.08359679
 H                  1.16330539    9.08791401   -6.50852683
 C                 -7.22042788    3.63494114   -4.11261775
 H                 -7.33803910    4.16756948   -5.06827931
 H                 -6.14521652    3.48968941   -3.97984606
 H                 -7.70886969    2.65686581   -4.20086838
 C                -10.92254823    4.46042760   -0.73677371
 H                -11.66835757    4.12661096   -1.47221025
 H                -10.75464793    3.62176362   -0.04421509
 H                -11.36576504    5.28078871   -0.15886712
 C                 -9.29081931   12.43650313   -6.72369967
 H                 -8.73156556   13.35887556   -6.93650660
 H                 -9.84858119   12.18046270   -7.63733300
 H                -10.02599271   12.66505033   -5.94226021
 C                 -4.46314304   11.92440832    2.06020069
 H                 -4.16517310   11.46155858    3.01054594
 H                 -3.78798063   12.77700753    1.88966020
 H                 -5.47557603   12.32860881    2.18571783
 C                 -2.18417192    8.03478946   -0.26729217
 H                 -2.61506875    7.03052844   -0.15152073
 H                 -1.67134508    8.03230562   -1.23528731
 H                 -1.44417224    8.18784364    0.52587527
 C                 -5.22941538    9.50757822   -7.59214603
 H                 -4.33712325    9.34439790   -6.97958848
 H                 -5.43229010    8.54455181   -8.08430332
 H                 -5.02459278   10.25515537   -8.36798388
 C                  1.04203172    8.62981245   -0.89096215
 H                  1.63740772    8.15013545   -1.67938315
 H                  0.00362172    8.33254745   -1.06406115
 H                  1.12118472    9.71502545   -1.02004415
 C                  2.80719272    1.46540945   -2.93295015
 H                  1.85168472    1.05874345   -2.57701215
 H                  2.55327072    2.32141445   -3.57112715
 H                  3.30997472    0.70716445   -3.54478815
 C                  3.31500172    9.78387245    3.48423385
 H                  4.12046972   10.31687045    2.95977785
 H                  2.59840472   10.54295245    3.83047485
 H                  3.74887372    9.30992545    4.37305385
 C                 -3.07899628    2.74121945    1.88638485
 H                 -3.11477028    3.80912145    1.63375185
 H                 -3.06232728    2.20393845    0.92948785
 H                 -3.99452828    2.47468445    2.42628485
 C                 -0.88355028    0.95587845    6.10682685
 H                 -1.54168928    1.54978445    6.75673985
 H                 -1.30358728   -0.05989955    6.06444385
 H                  0.09604772    0.88944345    6.59558685
 C                  7.11520272    1.11283845   -0.26965915
 H                  7.12693672    0.04308345   -0.51734115
 H                  7.86078872    1.60289745   -0.91424215
 H                  7.45715772    1.22109745    0.76700285
 C                  0.63535230    5.49011409   -3.30642622
 H                  1.04161130    6.05743909   -2.46717222
 H                  1.42215830    4.85007009   -3.72172622
 H                  0.26618530    6.18407409   -4.06573922
 H                 -0.70965028    3.83561745   -4.87937315
 C                 -2.92021628    4.75323745   -1.85965615
 H                 -3.50242728    5.46643245   -2.45642115
 H                 -3.25104528    4.83292645   -0.81686115
 H                 -0.12355543   10.45131119   -4.66374229
 C                 -1.98617107    9.63750120   -7.94261791
 H                 -1.85013654   10.55392990   -8.53004983
 H                 -2.67121205    9.00538046   -8.51530605
 C                 -3.00969821   10.24829584   -4.02129732
 H                 -3.89407607   10.86955780   -4.18880439
 H                 -3.34784786    9.30471160   -3.58488943
 H                 -2.34768677   10.75221473   -3.31025878
 C                  1.84716572    6.49162045    2.17223785
 Cl                -0.99843950   11.12853472   -6.59217360
 C                 -0.53305289    7.44930197   -7.83277574
 C                 -1.54919951    6.74840458   -8.35184937
 C                  0.66647972    6.72615069   -7.25619257
 H                 -2.44015151    7.20627571   -8.76662168
 H                 -1.52918100    5.65999565   -8.34847785
 H                  1.60327158    7.07631700   -7.71704454
 H                  0.76565392    6.89586682   -6.17589261
 H                  0.58862440    5.64394259   -7.41062289
 H                 -0.08026286    9.24226903   -8.73131601
 C                 -2.92940989    2.04051576   -1.54966398
 C                 -2.05609705    2.11517441   -0.53393971
 C                 -3.35039092    0.69040202   -2.07756227
 H                 -1.73524154    1.21431282   -0.01402658
 H                 -1.63127398    3.05066646   -0.17915032
 H                 -4.44418957    0.60013416   -2.11626870
 H                 -2.97035587    0.54124561   -3.09613703
 H                 -2.95799349   -0.11787097   -1.45234295
 H                 -4.12690718    3.45754445   -2.66043429
   
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        


