%chk=000135922.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135922

0 1
 Br   4.234200       2.128500      -2.145400    
 S   -4.663000      0.2955000     -0.5220000    
 O   -5.262400     -0.8782000      0.4406000    
 O   -5.460200       1.488000     -0.2958000    
 O   -4.490100     -0.2496000      -1.856000    
 O    5.763700     -0.6518000     -0.8236000    
 N    1.623800     -0.6110000      0.8914000    
 N    4.372700      0.2894000      0.7826000    
 C  -0.7236000      2.4200000E-02  0.5059000    
 C   -1.993200     -0.3063000     -2.5000000E-02
 C   0.3336000     -0.8914000      0.3782000    
 C   -3.050400      0.6095000      0.1023000    
 C    2.714400      -1.523800      0.7752000    
 C  -0.5485000       1.260600       1.148500    
 C   -2.168100      -1.542500     -0.6680000    
 C   0.1419000      -2.115300     -0.2637000    
 C    3.965700     -0.9388000       1.411400    
 C   -2.858400       1.833400      0.7439000    
 C   -1.106600      -2.440000     -0.7858000    
 C   -1.610000       2.158400       1.266000    
 C    5.247600      0.3310000     -0.2945000    
 C    5.536800       1.730300     -0.7661000    
 H    2.485500      -2.467500       1.284400    
 H    2.926300      -1.739200     -0.2794000    
 H    1.787500      0.2706000       1.357100    
 H   0.3979000       1.574900       1.576600    
 H   -3.116500      -1.891800      -1.056500    
 H   0.9302000      -2.852200     -0.3809000    
 H    3.791900     -0.7146000       2.469700    
 H    4.785800      -1.662500       1.350400    
 H   -3.656300       2.560300      0.8608000    
 H   -1.257900      -3.397900      -1.275500    
 H   -1.461700       3.111200       1.766000    
 H    3.987000       1.157100       1.143300    
 H   -5.350400     -0.6406000       1.393600    
 H    6.533500       1.790600      -1.208300    
 H    5.429900       2.472000      2.8000001E-02


%chk=000135922-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135922

0 1
Br 5.052386 3.438677 0.513671
S -4.785855 0.323522 -0.499292
O -5.256881 -0.728895 0.963945
O -5.606385 1.716817 -0.432491
O -4.926629 -0.600206 -1.822917
O 5.414810 -0.478016 -1.028872
N 1.684659 -0.648653 0.739538
N 4.445095 0.350562 0.922859
C -0.678613 -0.018994 0.411185
C -2.018528 -0.403276 -0.020076
C 0.391253 -1.007516 0.351987
C -3.003512 0.634975 0.042781
C 2.825209 -1.567740 0.673488
C -0.455243 1.310296 0.889678
C -2.277231 -1.740251 -0.456608
C 0.088692 -2.315805 -0.079882
C 4.042297 -0.980752 1.421304
C -2.781410 1.932830 0.487633
C -1.232145 -2.666387 -0.467812
C -1.470221 2.271290 0.925392
C 5.123694 0.491974 -0.263106
C 5.565461 1.888364 -0.707667
H 2.560880 -2.522045 1.167204
H 3.113398 -1.799926 -0.373459
H 1.932989 0.341101 0.709206
H 0.531594 1.599075 1.268228
H -3.276216 -2.025867 -0.791369
H 0.876877 -3.070182 -0.146779
H 3.811398 -0.879831 2.495803
H 4.890042 -1.679016 1.299949
H -3.598408 2.661055 0.501106
H -1.425509 -3.690952 -0.803778
H -1.268792 3.279361 1.299233
H 4.325536 1.177982 1.514048
H -6.182765 -1.069765 0.790297
H 5.117899 2.123666 -1.684612
H 6.662774 1.923025 -0.780414


