%chk=000122682.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122682

0 1
 Br  -2.783200      -2.867600      0.6597000    
 O    2.554100     -0.3905000     -7.6200001E-02
 O    4.404500       1.063600       1.437300    
 N   0.3418000     -0.6750000     -0.6847000    
 N  -0.2714000       1.656800     -0.6644000    
 N   -2.538800       2.036000      0.1376000    
 N   -3.981200      0.2778000      0.8242000    
 C  -0.5312000      0.3547000     -0.4538000    
 C   -1.715300     -0.1876000      3.0300001E-02
 C    1.688700     -0.5417000      -1.193000    
 C  -0.2576000      -1.864700     -0.3588000    
 C   -1.533600      -1.593100      8.7300003E-02
 C   -2.738500      0.7113000      0.3280000    
 C    3.911600     -0.2800000     -0.4817000    
 C   -1.334100       2.421400     -0.3403000    
 C    4.784200     -0.1215000      0.7484000    
 H    1.934800      -1.446700      -1.759500    
 H    1.736000      0.3320000      -1.851400    
 H   0.2723000      -2.801800     -0.4698000    
 H    4.208900      -1.176800      -1.036400    
 H    4.017600      0.5991000      -1.127800    
 H    5.839200     -4.6300001E-02  0.4694000    
 H    4.644900     -0.9651000       1.431700    
 H   -1.206000       3.489100     -0.4816000    
 H   -4.158900     -0.7054000      0.9772000    
 H   -4.695600      0.9634000       1.027800    
 H    4.979800       1.136000       2.217900    


%chk=000122682-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122682

0 1
Br -2.584561 -2.958531 0.980226
O 2.695906 -0.558297 -0.107106
O 4.453697 0.803338 1.671852
N 0.409812 -0.626067 -0.700287
N -0.361483 1.701130 -0.815814
N -2.627726 2.048177 0.044569
N -3.968957 0.335533 0.911091
C -0.530919 0.388633 -0.493127
C -1.700038 -0.195824 0.093201
C 1.744783 -0.419257 -1.218169
C -0.130977 -1.842968 -0.242075
C -1.412697 -1.601183 0.239728
C -2.773669 0.717428 0.355227
C 4.088779 -0.277440 -0.517307
C -1.451304 2.462640 -0.515057
C 4.896595 -0.268808 0.781137
H 1.975061 -1.174643 -1.998478
H 1.780021 0.601893 -1.645309
H 0.441634 -2.765933 -0.278198
H 4.453777 -1.060302 -1.217277
H 4.142183 0.715184 -1.011865
H 5.959531 -0.066073 0.567832
H 4.809968 -1.260951 1.272338
H -1.380491 3.529226 -0.746367
H -4.149714 -0.631431 1.172191
H -4.673346 1.055171 1.063723
H 3.467135 0.726752 1.750723


