%chk=000133458.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133458

0 1
 Br  -4.738100       3.342100     -0.2849000    
 O    1.896700      0.4998000       1.007800    
 O    4.612400     -0.1333000     -0.2556000    
 O    1.407000       3.249200      0.7739000    
 O   0.6727000      -3.338800      0.2462000    
 O   -3.647800      -1.802900     -0.1116000    
 N   0.3323000      -1.029900      0.1785000    
 N   -1.477000      -2.559200      6.7500003E-02
 C    3.449100      0.4998000     -0.7841000    
 C    1.729500     -0.7249000      0.2794000    
 C    2.391900     -0.5398000      -1.076100    
 C    2.797200       1.363000      0.2871000    
 C    1.981700       2.511500     -0.2926000    
 C  -0.5955000      1.1000000E-03  8.9500003E-02
 C  -9.3400002E-02  -2.375800      0.1700000    
 C   -1.917600     -0.1809000     -8.2000000E-03
 C   -2.444900      -1.570100     -2.4000000E-02
 C   -2.803900      0.9268000     -9.4999999E-02
 C   -3.552200       1.862200     -0.1679000    
 H    3.755400       1.067300      -1.667800    
 H    2.245000      -1.509200      0.8463000    
 H    1.680400     -0.1458000      -1.812000    
 H    2.787000      -1.484600      -1.462500    
 H    3.523500       1.744600       1.013300    
 H    1.184200       2.174600     -0.9588000    
 H    2.633700       3.186000     -0.8576000    
 H    4.964800     -0.7186000     -0.9477000    
 H  -0.2114000       1.009800      0.1091000    
 H   -1.806500      -3.520500      5.9500001E-02
 H   0.9038000       3.980800      0.3774000    


%chk=000133458-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133458

0 1
Br -4.890826 3.343513 0.646612
O 1.984838 0.534194 1.101715
O 4.800248 0.134517 0.071006
O 0.972441 3.026754 0.293070
O 0.728169 -3.165052 -0.360553
O -3.689224 -1.632967 -0.575234
N 0.297605 -0.924128 0.189298
N -1.473537 -2.346492 -0.438728
C 3.579119 0.440314 -0.682238
C 1.776514 -0.752298 0.472076
C 2.634152 -0.780792 -0.824397
C 2.768990 1.415281 0.193577
C 1.865202 2.335405 -0.642046
C -0.605306 0.112565 0.364881
C -0.099086 -2.220153 -0.213516
C -1.965387 -0.032950 0.121095
C -2.489776 -1.345400 -0.319680
C -2.872460 1.053969 0.294713
C -3.674823 1.982776 0.428121
H 3.832233 0.874929 -1.671946
H 2.054232 -1.547485 1.182059
H 1.987219 -0.671621 -1.712406
H 3.175220 -1.734891 -0.921136
H 3.421897 2.008118 0.852508
H 1.280024 1.751060 -1.385854
H 2.513540 3.053107 -1.188527
H 5.283774 -0.607848 -0.371780
H -0.174671 1.056637 0.717758
H -1.793067 -3.276549 -0.728921
H 0.432745 3.699788 -0.192431


