%chk=000134412.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134412

0 1
 Br  -2.282200      -2.039900      -3.787400    
 Br  -5.702700     -0.7824000       2.365300    
 O  -0.3976000       3.075500     -0.3423000    
 O    4.988600     -0.5712000      2.6699999E-02
 N   -2.195800     -0.5500000      0.1116000    
 N    2.834400      -1.331500      0.6094000    
 C   -1.636300      0.6951000      0.6365000    
 C  -0.1577000      0.8006000      0.3731000    
 C   -1.994400     -0.6311000      -1.334600    
 C   -3.618600     -0.6475000      0.4357000    
 C   0.3856000       1.986800     -0.1018000    
 C   0.6459000     -0.3064000      0.6127000    
 C   -2.607600      -1.910800      -1.871200    
 C   -3.811400     -0.5912000       1.939600    
 C    2.017700     -0.2253000      0.3729000    
 C    1.757300       2.067800     -0.3416000    
 C    2.573400      0.9616000     -0.1042000    
 C    4.219800      -1.438500      0.4285000    
 C   0.2535000       4.247300     -0.8289000    
 C    4.728000      -2.809000      0.8001000    
 H   -1.709400      0.7535000       1.727300    
 H   -2.182100       1.555700      0.2302000    
 H  -0.9311000     -0.6381000      -1.597900    
 H   -2.438900      0.2361000      -1.842700    
 H   -4.035100      -1.610100      0.1242000    
 H   -4.200700      0.1413000     -5.9099998E-02
 H   0.2238000      -1.230900      0.9995000    
 H   -2.175800      -2.808800      -1.420200    
 H   -3.697300      -1.946800      -1.814900    
 H   -3.560800      0.3713000       2.389300    
 H   -3.289900      -1.397300       2.463700    
 H    2.257700       2.955800     -0.7124000    
 H    3.625000       1.099300     -0.3135000    
 H    2.354600      -2.159500      0.9561000    
 H   0.7063000       4.079100      -1.812000    
 H   0.9698000       4.643400     -0.1010000    
 H  -0.5185000       5.012300     -0.9623000    
 H    4.532500      -3.000800       1.858800    
 H    5.805300      -2.866000      0.6212000    
 H    4.227500      -3.568000      0.1923000    


%chk=000134412-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000134412

0 1
Br -2.165142 -2.798963 -3.552687
Br -5.078495 -1.444081 2.988586
O -0.320092 3.395222 -0.436527
O 4.857826 -0.746680 0.375092
N -2.377275 -0.241563 -0.116618
N 2.597947 -1.351130 0.578333
C -1.747984 1.074972 0.154693
C -0.223986 1.057737 0.083968
C -2.350444 -0.661336 -1.536995
C -3.654093 -0.474269 0.594298
C 0.483516 2.259542 -0.210512
C 0.518204 -0.109073 0.339723
C -2.120732 -2.177839 -1.615761
C -3.356349 -1.164947 1.934394
C 1.938068 -0.115155 0.304405
C 1.896274 2.262043 -0.253840
C 2.629219 1.083750 0.002136
C 3.967120 -1.619358 0.603215
C 0.359062 4.645258 -0.786876
C 4.327505 -3.068094 0.928745
H -2.052639 1.391490 1.171969
H -2.129736 1.861081 -0.532918
H -1.514687 -0.146117 -2.040604
H -3.284365 -0.389443 -2.077579
H -4.308441 -1.124842 -0.013345
H -4.214726 0.468488 0.770827
H -0.043936 -1.024053 0.568108
H -1.128304 -2.461068 -1.236630
H -2.910790 -2.760584 -1.117152
H -2.714028 -0.557997 2.590585
H -2.929089 -2.168995 1.795406
H 2.446973 3.178888 -0.482888
H 3.719842 1.080553 -0.028618
H 1.979789 -2.139060 0.782054
H 0.947241 4.535900 -1.718543
H 1.021537 4.984567 0.032752
H -0.446998 5.377886 -0.939423
H 4.987052 -3.082555 1.813354
H 4.902170 -3.491795 0.086978
H 3.455784 -3.716980 1.124594


