%chk=000134626.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134626

0 1
 Br   5.490500      0.1038000     -3.0900000E-02
 N   -2.731000     -0.9459000     -0.2969000    
 N   -2.709200       1.413900      0.1909000    
 N  -0.6624000       2.571000      0.4428000    
 N   -4.733300      0.2542000     -6.0899999E-02
 C  -0.6350000      0.2129000     -4.4500001E-02
 C   -1.382000     -0.9233000     -0.2840000    
 C  -0.7198000      -2.236500     -0.5513000    
 C   0.8116000      0.1875000     -4.0600002E-02
 C   -1.360900       1.364100      0.1887000    
 C    1.515600      0.4198000      -1.222100    
 C    1.502100     -6.9799997E-02   1.143800    
 C  -0.4727000      -3.029400      0.7279000    
 C   -3.321400      0.2400000     -5.5300001E-02
 C    2.910200      0.3948000      -1.219200    
 C    2.896700     -9.4700001E-02   1.146700    
 C    3.600900      0.1377000     -3.4800000E-02
 H   -1.376200      -2.831000      -1.200800    
 H   0.2109000      -2.128500      -1.117400    
 H   0.9927000      0.6216000      -2.153900    
 H   0.9695000     -0.2454000       2.075400    
 H   0.2040000      -2.514400       1.413100    
 H  -2.8800000E-02  -4.000600      0.4860000    
 H   -1.410900      -3.212800       1.263100    
 H    3.443800      0.5777000      -2.148400    
 H    3.419600     -0.2952000       2.078300    
 H   0.2320000       2.528300      0.9147000    
 H   -1.231600       3.394200      0.5995000    
 H   -5.238100     -0.6027000     -0.2407000    
 H   -5.222400       1.120800      0.1155000    


%chk=000134626-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000134626

0 1
Br 5.703166 0.368741 -0.067830
N -2.736744 -0.944948 -0.330492
N -2.702086 1.388541 0.400614
N -0.705706 2.540835 0.710170
N -4.714224 0.246281 0.056606
C -0.591043 0.183707 0.000156
C -1.364841 -0.957867 -0.344304
C -0.750728 -2.305423 -0.678907
C 0.901801 0.213336 -0.018447
C -1.336938 1.360972 0.373799
C 1.627167 0.109043 -1.237580
C 1.643897 0.369867 1.185927
C -0.851626 -3.276946 0.527355
C -3.337077 0.229388 0.042623
C 3.039115 0.150427 -1.261772
C 3.056625 0.415793 1.181701
C 3.738697 0.304896 -0.047274
H -1.309211 -2.733163 -1.531235
H 0.305302 -2.196323 -0.976888
H 1.078133 0.005927 -2.180066
H 1.110824 0.436021 2.141229
H -0.272311 -2.899888 1.390073
H -0.456932 -4.273373 0.258250
H -1.905025 -3.387683 0.837638
H 3.580097 0.069578 -2.209079
H 3.611008 0.526897 2.118249
H 0.306798 2.624147 0.683759
H -1.287463 3.343014 0.941061
H -5.216585 -0.598220 -0.201291
H -5.199688 1.098526 0.320656


