%chk=000115489.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115489

0 1
 Br  -6.987800      -2.047500      0.9525000    
 Br  -7.204000       2.482400     -0.1813000    
 O    4.725100     -0.2416000      -1.422600    
 O    7.474500     -9.4599999E-02 -0.8217000    
 N    5.688600      0.1751000      0.6593000    
 N    7.862300      0.3422000       1.400400    
 C   -1.803000     -0.1153000      0.2099000    
 C   -3.030100     -0.2618000     -0.6967000    
 C  -0.4777000     -0.2005000     -0.5519000    
 C   -4.355000     -0.2029000      6.7199998E-02
 C   0.7501000      4.4999998E-03  0.3420000    
 C   -5.585100     -0.3563000     -0.8366000    
 C    2.076900     -0.1070000     -0.4168000    
 C   -6.937000     -0.3804000     -0.1102000    
 C    3.285600      8.6199999E-02  0.4989000    
 C   -7.145300      0.8048000      0.8209000    
 C    4.620800     -8.3999997E-03 -0.2217000    
 C    7.041000      0.1212000      0.3084000    
 H   -1.857400      0.8474000      0.7329000    
 H   -1.825500     -0.8964000      0.9797000    
 H   -2.966800      -1.216400      -1.233400    
 H   -3.014700      0.5305000      -1.455200    
 H  -0.4080000      -1.179000      -1.042800    
 H  -0.4696000      0.5545000      -1.347800    
 H   -4.396300      0.7591000      0.5898000    
 H   -4.338000     -0.9808000      0.8371000    
 H   0.7337000     -0.7387000       1.148700    
 H   0.6877000      0.9910000      0.8178000    
 H   -5.579000      0.4513000      -1.578400    
 H   -5.476200      -1.281800      -1.418200    
 H    2.102200      0.6401000      -1.219800    
 H    2.139300      -1.089200     -0.9016000    
 H   -7.754700     -0.4747000     -0.8326000    
 H    3.273400     -0.6728000       1.290600    
 H    3.229800       1.070500      0.9795000    
 H   -6.372900      0.9127000       1.586800    
 H   -8.112800      0.7401000       1.329600    
 H    5.476100      0.3604000       1.636000    
 H    8.872400      0.3347000       1.307200    
 H    7.485000      0.5186000       2.325300    


%chk=000115489-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115489

0 1
Br -7.247359 -2.149725 0.467344
Br -7.285398 2.620495 0.196819
O 4.759730 -1.061272 -1.063655
O 7.596966 -1.073063 -0.181626
N 5.756286 0.183725 0.666672
N 7.956068 0.960043 0.903033
C -1.813046 -0.157256 0.261332
C -3.022341 -0.161345 -0.700041
C -0.452943 -0.170036 -0.471646
C -4.380577 -0.167773 0.037891
C 0.756842 -0.156846 0.489572
C -5.571132 -0.143788 -0.943645
C 2.111405 -0.195221 -0.250232
C -6.970574 -0.249342 -0.322890
C 3.314614 -0.162095 0.714460
C -7.298202 0.678377 0.842801
C 4.653600 -0.403897 -0.002070
C 7.145287 -0.057660 0.396172
H -1.868706 0.737443 0.916495
H -1.875711 -1.039250 0.932442
H -2.961572 -1.050527 -1.361543
H -2.966089 0.726712 -1.363869
H -0.393616 -1.068588 -1.120088
H -0.392588 0.706688 -1.149762
H -4.426456 0.713294 0.709596
H -4.446542 -1.069759 0.677749
H 0.688065 -1.028338 1.174448
H 0.702845 0.748349 1.131123
H -5.553607 0.808152 -1.515158
H -5.462536 -0.956178 -1.686916
H 2.179799 0.658406 -0.953517
H 2.184539 -1.109401 -0.867932
H -7.755155 -0.209144 -1.095774
H 3.199920 -0.966982 1.470919
H 3.335176 0.793864 1.276870
H -6.555493 0.636873 1.650976
H -8.315228 0.526893 1.228730
H 5.537264 0.777741 1.470502
H 8.961876 0.829935 0.812046
H 7.602187 1.881697 1.153573


