%chk=000013259.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013259

0 1
 Br  -3.345400      -2.844600     -0.1287000    
 N    3.934600      -1.341400     -0.5146000    
 N  -0.5492000       2.472000      9.4099998E-02
 C    2.811800     -0.6377000      0.1300000    
 C    1.897200     -1.6899999E-02 -0.9807000    
 C   0.7282000      0.7705000     -0.5384000    
 C  -0.5818000      0.2743000     -0.2882000    
 C    3.415400      0.4410000       1.039900    
 C    2.057300      -1.670600      0.9781000    
 C   -1.363500       1.362000      0.1070000    
 C   0.7166000       2.124600     -0.2947000    
 C   -1.179500     -0.9997000     -0.3603000    
 C   -2.718300       1.238900      0.4352000    
 C   -2.533800      -1.137900     -3.5100002E-02
 C   -3.289400     -3.4499999E-02  0.3564000    
 H    2.518200      0.6260000      -1.622200    
 H    1.551500     -0.8237000      -1.642700    
 H    3.946500       1.204000      0.4589000    
 H    2.642900      0.9456000       1.630000    
 H    4.128700      1.1600000E-02   1.754000    
 H    1.250800      -1.205800       1.554600    
 H    2.723300      -2.155900       1.702100    
 H    1.621300      -2.459100      0.3543000    
 H    1.494000       2.873000     -0.3623000    
 H    4.559900      -1.725000      0.1934000    
 H    4.490400     -0.6806000      -1.056600    
 H  -0.8441000       3.407700      0.3368000    
 H  -0.5942000      -1.860700     -0.6709000    
 H   -3.307300       2.097500      0.7401000    
 H   -4.341800     -0.1467000      0.6083000    


%chk=000013259-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013259

0 1
Br -3.405172 -2.905233 -0.204105
N 3.926442 -1.389158 -0.576191
N -0.593333 2.522480 0.136047
C 2.866516 -0.631661 0.152879
C 1.948884 -0.019856 -0.963339
C 0.750961 0.774863 -0.503876
C -0.595196 0.275647 -0.262731
C 3.458135 0.492222 1.051384
C 2.092370 -1.647098 1.022518
C -1.414581 1.391413 0.137451
C 0.701791 2.148282 -0.253866
C -1.186468 -1.013378 -0.366679
C -2.786336 1.252658 0.439836
C -2.550601 -1.131289 -0.066016
C -3.358422 -0.031346 0.335771
H 2.592127 0.623544 -1.599070
H 1.628367 -0.864694 -1.601064
H 4.035042 1.216163 0.442899
H 2.665613 1.047060 1.586055
H 4.141561 0.058560 1.805905
H 1.256434 -1.162864 1.554762
H 2.762796 -2.097291 1.780526
H 1.694203 -2.462335 0.393253
H 1.496373 2.888370 -0.333976
H 4.519535 -1.945164 0.052814
H 4.499978 -0.788506 -1.182833
H -0.889436 3.468166 0.365652
H -0.597324 -1.882299 -0.671229
H -3.402655 2.105173 0.744856
H -4.417303 -0.184526 0.560168


