%chk=LO-int1a-tr.chk
%nprocshared=8
%mem=22GB
#p opt freq=noraman b97d3/gen pseudo=read nosymm

LO-int1a-tr

-1 1
 N                 -0.31390900    0.01056000   -0.62060300
 O                  1.50535200   -0.80321800    1.34976900
 O                 -0.82031500    1.32979200    1.79604200
 O                 -1.57036300   -1.67233600    1.23509900
 C                  2.38379800   -0.85635500    0.35568500
 C                  3.77307400   -0.83682400    0.66149500
 C                  4.70060600   -0.87234400   -0.38156600
 C                  4.31750200   -0.92153200   -1.73318400
 C                  2.94818400   -0.93854700   -2.01547000
 C                  1.98386000   -0.92068700   -0.99953400
 H                  5.29078000   -0.78195600    2.19624600
 H                  5.76374500   -0.85314200   -0.13202800
 H                  6.11183200   -0.18284000   -2.71135100
 H                  2.61248000   -0.97111500   -3.05410300
 H                 -1.54574300    3.27147700    3.68882500
 C                 -2.22504200   -2.14570100    0.18471600
 C                 -2.32194600   -1.43428700   -1.03348500
 C                 -3.00084400   -1.99900300   -2.12142100
 C                 -3.61646500   -3.25182700   -2.03528700
 C                 -3.52015200   -3.94314600   -0.81382400
 C                 -2.84042000   -3.42413200    0.28904300
 C                  0.23734300    1.37751500   -0.86420700
 H                 -3.05060200   -1.43797100   -3.05704000
 H                 -4.07152500   -4.88210900   -3.39801100
 H                 -3.98608200   -4.92696200   -0.72332000
 H                 -1.66139400   -4.37331200    1.82503700
 C                 -1.08695300    2.37690200    1.02693000
 C                 -0.62324300    2.47581100   -0.30551900
 C                 -0.95291900    3.59583000   -1.07937800
 C                 -1.72179500    4.64596800   -0.56721600
 C                 -2.17382200    4.53460800    0.75962500
 C                 -1.87904600    3.43034200    1.56080000
 C                  0.52076600   -1.00201300   -1.33271900
 H                 -0.59625000    3.64329300   -2.11030800
 H                 -1.49789200    6.75369600   -1.05726500
 H                 -2.78662200    5.33508600    1.18012500
 C                 -1.71864600   -0.06125200   -1.12776600
 H                 -2.29995900    0.65580800   -0.53614000
 H                 -1.73905900    0.28895200   -2.17472800
 H                  0.37758000   -0.88400000   -2.42095500
 H                  1.23398500    1.39638200   -0.40743300
 H                  0.37584900    1.52252400   -1.94974300
 H                  0.11662700   -1.98443600   -1.05995400
 C                 -2.05039100    5.86494700   -1.39957900
 H                 -1.79400200    5.70534400   -2.45442900
 H                 -3.12035400    6.11272400   -1.34911100
 C                  4.19784000   -0.76969300    2.10458000
 H                  3.81559300    0.13783700    2.58928700
 H                  3.78584400   -1.60902100    2.67901800
 C                  5.35259800   -0.96858200   -2.83445100
 H                  5.88623700   -1.93144500   -2.85148000
 H                  4.88857200   -0.83283100   -3.81947800
 C                 -2.71512300   -4.17055800    1.59055400
 H                 -3.08678000   -3.56987600    2.42908200
 H                 -3.26057700   -5.12206800    1.55832800
 C                 -4.37247400   -3.84242400   -3.20435800
 H                 -5.45902600   -3.85046700   -3.02586700
 H                 -4.19502400   -3.26724800   -4.12187600
 C                 -2.38052900    3.30444500    2.97576600
 H                 -3.03519200    4.14408700    3.24014900
 H                 -2.92887400    2.36331700    3.11231600
 Al                -0.27990300   -0.42009700    1.59140800
 O                 -0.29658600   -0.76120200    3.37255300
 C                  0.70684200   -1.10530400    4.26953800
 C                  0.87550800    0.11261100    5.21037700
 H                  1.66826400   -1.26925600    3.75881300
 C                  0.35692800   -2.38862300    5.04477000
 C                 -0.32823700    0.27422000    6.12622800
 C                  1.24173200    1.38673900    4.47503200
 H                  1.25678000   -2.70771900    5.58675700
 C                 -0.80189700   -2.28536400    6.07983700
 H                  0.11710000   -3.16327200    4.30665100
 H                 -0.16538800    1.11990100    6.80752400
 H                 -1.14866000    0.54681300    5.45086400
 C                 -0.68097400   -0.98914400    6.92302800
 H                  2.12861200    1.23126000    3.85269300
 H                  1.43831800    2.20026100    5.18302600
 H                  0.40807400    1.65721200    3.81879000
 C                 -2.19103100   -2.53749300    5.49851500
 H                 -0.64091100   -3.11739900    6.78082000
 H                  0.11130600   -1.14431500    7.66638300
 H                 -1.61349900   -0.82465900    7.48175200
 C                 -2.73882200   -3.75837700    5.62226800
 C                 -2.92305300   -1.43071800    4.78762400
 H                 -3.71573800   -3.98984700    5.19800500
 H                 -2.21579500   -4.57031000    6.12881300
 H                 -3.12386000   -0.59234300    5.47155600
 H                 -2.29821300   -1.04923900    3.97225000
 H                 -3.88283700   -1.78484500    4.39298200
 Br                 2.38345243   -0.25403149    6.32382969
   
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    


