%chk=000002857.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002857

0 1
 Br   5.668700     -0.4342000      -2.670100    
 O   -3.019000       1.928400      0.6233000    
 O   -4.560200     -0.3367000      0.1592000    
 N    1.770200      0.2543000      0.8243000    
 N  -0.6392000      -3.039600      0.1353000    
 N    1.536500      -2.060500      0.4741000    
 C  -0.4445000     -0.6753000      0.4887000    
 C   -1.211300      -1.828500      0.2546000    
 C   -2.435500      0.7046000      0.5017000    
 C   -1.053600      0.5856000      0.6118000    
 C   -3.205400     -0.4298000      0.2701000    
 C   0.9313000     -0.8633000      0.5884000    
 C   -2.592100      -1.680400      0.1489000    
 C    3.096200      0.5369000      0.4601000    
 C   -2.626500       2.930600     -0.3132000    
 C   0.7034000      -3.089700      0.2511000    
 C   -5.140700     -0.7659000      -1.070700    
 C    3.632600      6.0000001E-03 -0.7171000    
 C    3.890600       1.350500       1.273600    
 C   -3.791100       3.868500     -0.5490000    
 C   -6.408500      2.2900000E-02  -1.319500    
 C    4.950700      0.2862000      -1.077100    
 C    5.208700       1.630800      0.9135000    
 C    5.738700       1.098700     -0.2619000    
 H  -0.4678000       1.482500      0.7945000    
 H   -3.204700      -2.564000     -2.3499999E-02
 H    1.416200      0.8662000       1.554700    
 H   -1.777200       3.487100      9.7599998E-02
 H   -2.326500       2.481600      -1.268300    
 H   -4.448900     -0.6095000      -1.907800    
 H   -5.374900      -1.833600      -1.000500    
 H    1.158200      -4.068000      0.1537000    
 H    3.021400     -0.6172000      -1.366100    
 H    3.491500       1.771600       2.193100    
 H   -3.520100       4.659000      -1.254300    
 H   -4.652200       3.320800     -0.9457000    
 H   -4.112500       4.328700      0.3912000    
 H   -6.887500     -0.2899000      -2.251500    
 H   -7.116200     -0.1138000     -0.4952000    
 H   -6.190300       1.094400      -1.376800    
 H    5.822400       2.263200       1.548500    
 H    6.767600       1.326800     -0.5280000    


%chk=000002857-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002857

0 1
Br 6.687032 -1.937423 0.128155
O -3.237856 2.087817 -0.118415
O -4.670688 -0.077747 -0.518081
N 1.819794 0.426058 0.069521
N -0.678493 -2.908005 -0.565754
N 1.526192 -1.908538 -0.259444
C -0.452199 -0.456794 -0.229012
C -1.245805 -1.638354 -0.446027
C -2.505775 0.906403 -0.215264
C -1.112344 0.807993 -0.117585
C -3.300201 -0.287220 -0.434889
C 0.985625 -0.668663 -0.140991
C -2.664491 -1.526699 -0.545657
C 3.229889 0.515672 0.190868
C -2.493961 3.344601 0.107493
C 0.660410 -2.959343 -0.465597
C -5.528826 -1.264605 -0.745598
C 4.102599 -0.604682 0.107450
C 3.773050 1.814619 0.407643
C -3.530864 4.461440 0.177311
C -6.967395 -0.761098 -0.795421
C 5.484233 -0.383637 0.243998
C 5.162399 1.992587 0.539269
C 6.046618 0.890381 0.459234
H -0.541720 1.727475 0.044438
H -3.216685 -2.454266 -0.711415
H 1.344056 1.324437 0.154141
H -1.920577 3.265137 1.054787
H -1.782915 3.504598 -0.729866
H -5.231574 -1.748666 -1.697829
H -5.376565 -1.985764 0.082746
H 1.130807 -3.943432 -0.556233
H 3.674993 -1.594223 -0.058199
H 3.105062 2.683444 0.473119
H -3.031014 5.432708 0.345017
H -4.103814 4.518859 -0.763335
H -4.238769 4.282963 1.003980
H -7.656704 -1.608145 -0.964632
H -7.241756 -0.269620 0.153198
H -7.097921 -0.033539 -1.614155
H 5.568097 2.995956 0.705956
H 7.126555 1.023316 0.560775


