%chk=000125209.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125209

0 1
 Br   2.219400      -3.022900      0.1273000    
 O    1.892600      0.4635000      0.9975000    
 O    3.772400      -1.090900      -1.664600    
 O    4.148700       2.124700       1.357600    
 N  -0.3039000      0.1695000      0.1391000    
 N   -1.624300       1.749500     -0.7068000    
 N   -1.974000      -1.460400      0.8111000    
 N   -4.227400     -0.6827000      0.2879000    
 N   -4.647600       1.429100     -0.7565000    
 C   0.9289000     -0.5140000      0.5486000    
 C    2.713600     -0.4139000      -1.023400    
 C    1.573200      -1.310500     -0.5848000    
 C    3.120700      0.2577000      0.2785000    
 C    3.827400       1.587900      8.5000001E-02
 C   -1.578700     -0.2947000      0.2774000    
 C  -0.3803000       1.398900     -0.4554000    
 C   -2.383900      0.7000000     -0.2539000    
 C   -3.756600      0.4742000     -0.2369000    
 C   -3.320300      -1.565000      0.7721000    
 H   0.6581000      -1.122700       1.418700    
 H    2.323500      0.3391000      -1.719700    
 H   0.8977000      -1.588500      -1.398900    
 H    3.753900     -0.3993000      0.8882000    
 H    3.176800       2.311200     -0.4164000    
 H    4.747800       1.478000     -0.4964000    
 H   0.4919000       1.994800     -0.6868000    
 H    3.394700      -1.576700      -2.417300    
 H    4.756800       1.504300       1.794400    
 H   -3.732300      -2.480000       1.184300    
 H   -4.298700       2.293300      -1.148400    
 H   -5.640700       1.242000     -0.7326000    


%chk=000125209-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000125209

0 1
Br 2.526256 -2.994869 1.326282
O 2.199975 0.433613 1.337102
O 3.329432 -1.604008 -1.439843
O 3.958854 2.570038 0.076983
N -0.125989 0.280750 0.763664
N -1.562952 2.062933 0.550785
N -1.550277 -1.493424 -0.283018
N -3.719472 -0.605577 -1.028739
N -4.332377 1.662701 -0.772323
C 1.061157 -0.471178 1.283615
C 2.318227 -0.854274 -0.721458
C 1.451470 -1.610453 0.318748
C 3.035750 0.239712 0.108039
C 3.211678 1.552615 -0.661420
C -1.282416 -0.221156 0.143256
C -0.360928 1.653017 0.992424
C -2.149501 0.898775 0.020217
C -3.414143 0.665412 -0.596963
C -2.790282 -1.591876 -0.852182
H 0.853856 -0.814523 2.309773
H 1.602069 -0.386820 -1.435452
H 0.581742 -2.149809 -0.088085
H 4.012698 -0.156418 0.445983
H 2.230396 2.015959 -0.859034
H 3.700174 1.312716 -1.631491
H 0.390421 2.279418 1.466278
H 2.915517 -2.364920 -1.919911
H 4.859757 2.221332 0.297140
H -3.076435 -2.584188 -1.212947
H -4.122221 2.606876 -0.454743
H -5.223036 1.443123 -1.213779


