%chk=000059277.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059277

0 1
 Br   1.133900      -3.253800     -0.3813000    
 N    1.139400     -0.1820000     -0.9236000    
 N    3.289600      0.6491000     -0.8903000    
 N    2.248100      0.3480000       1.103400    
 C  -0.1120000     -0.6428000     -0.4364000    
 C   -1.171900      0.2598000     -0.2515000    
 C    4.310800       1.085700      1.2300000E-02
 C    2.180200      0.2563000     -0.2033000    
 C    3.615900      0.8899000       1.365800    
 C   -2.411900     -0.2186000      0.2349000    
 C  -0.2724000      -1.998000     -0.1461000    
 C   -1.028300       1.627100     -0.5384000    
 C   -2.555400      -1.585900      0.5218000    
 C   -1.491700      -2.468500      0.3322000    
 C   -3.471500      0.6842000      0.4198000    
 C   -2.091800       2.510000     -0.3487000    
 C   -3.311100       2.039500      0.1295000    
 H    4.573900       2.133900     -0.1565000    
 H    5.209600      0.4679000     -7.0799999E-02
 H    4.172100      0.1861000       1.993900    
 H    3.533700       1.839400       1.905300    
 H    1.215900     -0.2102000      -1.936000    
 H    3.396200      0.6392000      -1.897100    
 H  -9.6199997E-02   2.039500     -0.9169000    
 H   -3.499600      -1.975700      0.8965000    
 H   -1.636000      -3.520800      0.5642000    
 H   -4.433500      0.3386000      0.7926000    
 H   -1.968100       3.565000     -0.5752000    
 H   -4.138800       2.727200      0.2768000    


%chk=000059277-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059277

0 1
Br 0.783514 -3.694090 -0.872291
N 1.249709 -0.590311 -0.921870
N 3.409296 0.438866 -0.866359
N 2.023330 0.717333 0.978824
C -0.062255 -0.905646 -0.478235
C -1.039326 0.124250 -0.180034
C 4.210866 1.346520 -0.006747
C 2.172841 0.206383 -0.222719
C 3.280741 1.481321 1.265895
C -2.364820 -0.263435 0.256802
C -0.479062 -2.247325 -0.409839
C -0.753604 1.519235 -0.340876
C -2.711964 -1.651019 0.338620
C -1.789151 -2.634318 -0.012578
C -3.326662 0.754157 0.567126
C -1.717907 2.486583 -0.050252
C -3.012424 2.105597 0.422298
H 4.381771 2.322806 -0.501430
H 5.191957 0.904215 0.240816
H 3.765250 1.048182 2.159508
H 3.039866 2.535668 1.495234
H 1.687147 -1.319470 -1.495278
H 3.481226 0.476860 -1.884147
H 0.234051 1.826549 -0.688327
H -3.717853 -1.935236 0.666319
H -2.049734 -3.695114 0.029302
H -4.321902 0.448021 0.910627
H -1.480993 3.547919 -0.182226
H -3.754811 2.875601 0.658739


