%chk=LO-int1b-trans.chk
%nprocshared=8
%mem=22GB
#p opt freq=noraman b97d3/gen pseudo=read nosymm

LO-int1b-trans

-1 1
 N                 -0.55902100   -1.82601700   -0.49652200
 O                  1.23212400   -0.84700500    1.43922200
 O                 -1.84923000   -0.06575100    1.22359800
 O                 -0.93285900   -3.07214600    1.97158500
 C                  2.12941900   -0.88029500    0.45466600
 C                  3.32788100   -0.12236800    0.58095100
 C                  4.25993700   -0.14276300   -0.45930300
 C                  4.06506600   -0.88011700   -1.63920400
 C                  2.88476600   -1.62045500   -1.74579500
 C                  1.93001000   -1.64289100   -0.72078700
 H                  4.52458900    1.22360900    1.76445500
 H                  5.17219000    0.44721400   -0.34762200
 H                  4.74663700   -1.43071600   -3.61818900
 H                  2.69591400   -2.20699300   -2.64716500
 H                 -3.48743400    1.86815700    2.28273400
 C                 -1.16667600   -4.15709800    1.24349000
 C                 -1.56144600   -4.08461700   -0.11379400
 C                 -1.78347600   -5.25725200   -0.84632300
 C                 -1.64129000   -6.52337400   -0.27017000
 C                 -1.23135200   -6.58195500    1.07310200
 C                 -0.98326600   -5.43822900    1.83498900
 C                 -0.69237800   -0.59476200   -1.33227100
 H                 -2.07273000   -5.17231400   -1.89585300
 H                 -1.16084100   -8.55343400   -0.87251200
 H                 -1.08636100   -7.55831100    1.54072100
 H                  0.46577400   -5.00074000    3.36989500
 C                 -2.49317600    0.34594900    0.14134900
 C                 -2.01154500    0.10303400   -1.16523300
 C                 -2.74975400    0.53152800   -2.27582400
 C                 -3.95642100    1.22480100   -2.13485300
 C                 -4.41785400    1.47003500   -0.82889100
 C                 -3.72014100    1.04672600    0.30331400
 C                  0.71578500   -2.51889300   -0.84287200
 H                 -2.36528000    0.31768200   -3.27536400
 H                 -4.34248900    1.27254600   -4.26469200
 H                 -5.36128500    2.00319600   -0.69098200
 C                 -1.71760200   -2.73659400   -0.75721900
 H                 -2.60959300   -2.22159400   -0.38149600
 H                 -1.84478200   -2.85247800   -1.84725700
 H                  0.64173600   -2.91650700   -1.86995900
 H                  0.13350100    0.06705800   -1.04405300
 H                 -0.53844400   -0.86342900   -2.39199600
 H                  0.79958000   -3.38039200   -0.17106200
 C                 -4.73550200    1.70816900   -3.33743500
 H                 -5.79908300    1.43863800   -3.26603400
 H                 -4.68782700    2.80326400   -3.44212000
 C                  3.56874200    0.68948700    1.82678200
 H                  2.76995700    1.42360500    1.98635200
 H                  3.58429500    0.06302800    2.72687900
 C                  5.09925700   -0.87237200   -2.74209200
 H                  5.33468600    0.15052400   -3.07063700
 H                  6.04508400   -1.33083100   -2.41586400
 C                 -0.49596600   -5.51854100    3.25702100
 H                 -1.18420100   -5.01833500    3.94590100
 H                 -0.37256700   -6.56087600    3.57554900
 C                 -1.92543600   -7.78496900   -1.05365500
 H                 -2.89667200   -8.22568500   -0.77911500
 H                 -1.95054000   -7.58520900   -2.13250100
 C                 -4.22018100    1.29219200    1.70217200
 H                 -5.17540300    1.83195700    1.69450900
 H                 -4.34701400    0.34475300    2.24256800
 Al                -0.55004200   -1.29095200    1.68310600
 O                 -0.68874900   -0.93085100    3.46003700
 C                 -0.07094300   -0.03562000    4.34482000
 C                  1.24316800   -0.77522800    4.65926500
 C                 -0.96777200    0.10851800    5.61258100
 C                  0.15105200    1.33948900    3.69826500
 H                  1.82725500   -0.86245300    3.74544900
 C                  1.01610200   -2.12316100    5.31732500
 H                 -1.01337100    1.16480700    5.91040000
 H                 -1.97266800   -0.17433300    5.28520000
 C                 -0.51706900   -0.70368900    6.84086100
 H                  0.74202500    1.23074000    2.78460100
 H                  0.66693800    2.02539200    4.37992500
 H                 -0.82684800    1.75525900    3.42759400
 H                  1.97886300   -2.57630800    5.57670600
 C                  0.07699600   -2.10983600    6.56626500
 H                  0.56953400   -2.74178600    4.53191400
 H                  0.26281600   -0.13022400    7.35299100
 H                 -1.35144200   -0.80374700    7.55058400
 C                 -0.96921600   -3.20809800    6.45882400
 H                  0.69380000   -2.35353000    7.44109900
 C                 -0.83707100   -4.34302800    7.16479700
 C                 -2.12956900   -2.98438700    5.52368300
 H                 -1.55750200   -5.15650600    7.07716100
 H                  0.00476100   -4.49669400    7.84057400
 H                 -2.79365000   -2.20425300    5.92346400
 H                 -1.78739000   -2.62402900    4.54557400
 H                 -2.72203600   -3.89895300    5.40028400
 Br                 2.45381000    0.28371400    5.77734800
   
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        
****
Br     0 
S   2   1.00
      1.1590000             -3.0378769        
      0.7107000              3.3703735        
S   1   1.00
      0.1905000              1.0000000        
P   2   1.00
      2.6910000             -0.1189800        
      0.4446000              1.0424471        
P   1   1.00
      0.1377000              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        
BR     0
BR-ECP     3     28
f-ul potential
  4
1    213.6143969            -28.0000000        
2     41.0585380           -134.9268852        
2      8.7086530            -41.9271913        
2      2.6074661             -5.9336420        
s-ul potential
  4
0     54.1980682              3.0000000        
1     32.9053558             27.3430642        
2     13.6744890            118.8028847        
2      3.0341152             43.4354876        
p-ul potential
  5
0     54.2563340              5.0000000        
1     26.0095593             25.0504252        
2     28.2012995             92.6157463        
2      9.4341061             95.8249016        
2      2.5321764             26.2684983        
d-ul potential
  5
0     87.6328721              3.0000000        
1     61.7373377             22.5533557        
2     32.4385104            178.1241988        
2      8.7537199             76.9924162        
2      1.6633189              9.4818270      


