%chk=000081652.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081652

0 1
 Br   4.767100     -0.1255000     -0.5072000    
 N   -3.200600     -0.1538000     -0.1517000    
 N   -1.186900      0.1860000      0.6755000    
 N   -1.841500     -0.1902000     -0.3209000    
 C   0.1828000      0.1136000      0.4021000    
 C   0.8430000       1.212300     -0.1478000    
 C   0.8890000      -1.056600      0.6806000    
 C    2.209400       1.140900     -0.4192000    
 C    2.255300      -1.128000      0.4092000    
 C    2.915500     -2.9300001E-02 -0.1408000    
 C   -3.852100      0.8059000      0.7227000    
 C   -3.980900     -0.7753000      -1.202600    
 H   0.3017000       2.129000     -0.3672000    
 H   0.3837000      -1.917700       1.110300    
 H    2.708900       2.006300     -0.8473000    
 H    2.791000      -2.047100      0.6327000    
 H   -3.288900      0.9418000       1.649300    
 H   -4.849100      0.4373000      0.9816000    
 H   -3.939000       1.759400      0.1948000    
 H   -4.227000     -2.1600001E-02  -1.955600    
 H   -4.897800      -1.189800     -0.7747000    
 H   -3.407800      -1.585400      -1.663400    


%chk=000081652-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081652

0 1
Br 4.953726 -0.267336 -0.023187
N -3.289361 -0.186778 -0.134139
N -1.202186 0.582174 0.088705
N -1.960650 -0.464391 -0.182012
C 0.197338 0.292577 0.038155
C 1.056592 1.386000 0.325781
C 0.771242 -0.975236 -0.269293
C 2.458827 1.231443 0.309693
C 2.169889 -1.138555 -0.287707
C 3.000630 -0.033337 0.002014
C -3.799286 1.157740 0.181386
C -4.193549 -1.299595 -0.430317
H 0.606095 2.355600 0.561181
H 0.114484 -1.821324 -0.491326
H 3.112571 2.079493 0.532268
H 2.609787 -2.112074 -0.524021
H -3.459460 1.476423 1.183942
H -4.899775 1.133593 0.145356
H -3.410518 1.897673 -0.542092
H -4.818618 -1.082469 -1.317631
H -4.862227 -1.509139 0.426326
H -3.579753 -2.190284 -0.632683


