%chk=000178496.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178496

0 1
 Br -0.9890000      -1.428500      -2.802000    
 Br  -3.600900       2.632000      0.2134000    
 O   -1.071600      -2.518000       1.373600    
 N   -1.934200      0.2883000      0.7048000    
 N    1.611000      0.3485000      0.8710000    
 N   -2.365600      0.6809000      -1.438100    
 N    2.707400      0.8303000      -1.665100    
 C   0.9582000      -1.892900      0.2097000    
 C  -0.5203000      -1.749900      0.5869000    
 C   -1.331100     -0.6543000     -1.7200001E-02
 C    1.603000     -0.5567000     -0.1099000    
 C    1.737000      -2.599800       1.325400    
 C   -1.578700     -0.4364000      -1.312200    
 C   -2.561700       1.092900     -0.2052000    
 C    2.129300     -0.3455000      -1.349400    
 C   -1.937800      0.4478000       2.141200    
 C    2.189400       1.524200      0.5554000    
 C    2.727800       1.760800     -0.6903000    
 C    2.228000       2.576200       1.608000    
 H   0.9901000      -2.543000     -0.6734000    
 H    1.340300      -3.606000       1.499900    
 H    2.796900      -2.697800       1.065700    
 H    1.670200      -2.053200       2.273200    
 H    2.133400      -1.091200      -2.133800    
 H   -1.799800       1.504300       2.384200    
 H   -2.895500      8.5299999E-02   2.522200    
 H   -1.115900     -0.1176000       2.585700    
 H    3.193700       2.703500     -0.9519000    
 H    1.691500       3.469700       1.273300    
 H    1.755300       2.225100       2.531200    
 H    3.263100       2.846200       1.839600    


%chk=000178496-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178496

0 1
Br -0.825461 -0.980470 -2.825701
Br -4.428081 2.213380 0.287420
O -0.683203 -1.800481 2.004674
N -2.288079 0.300010 0.824945
N 1.628941 0.472394 0.702756
N -2.664860 0.664639 -1.391333
N 3.481134 0.516130 -1.455258
C 0.892947 -1.819227 0.132741
C -0.414326 -1.399519 0.833122
C -1.344299 -0.498964 0.118228
C 1.744597 -0.587602 -0.154858
C 1.678989 -2.836184 0.997540
C -1.626191 -0.228745 -1.243473
C -3.029997 0.968871 -0.132080
C 2.665949 -0.553339 -1.234113
C -2.384208 0.443237 2.290637
C 2.435455 1.561330 0.490018
C 3.360517 1.564273 -0.588001
C 2.289815 2.729273 1.434377
H 0.638501 -2.294412 -0.835157
H 1.060172 -3.725063 1.205605
H 2.596953 -3.153578 0.472431
H 1.956275 -2.386749 1.965209
H 2.751921 -1.390221 -1.935443
H -3.018915 1.314560 2.514566
H -2.812547 -0.465364 2.738661
H -1.378122 0.593321 2.710676
H 4.015672 2.423226 -0.766433
H 1.266935 3.144010 1.377459
H 2.449854 2.403862 2.477636
H 3.007162 3.532603 1.199048


