%chk=000153217.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153217

0 1
 Br  -5.808500      -1.596600     -0.5958000    
 O   0.2711000      0.5641000      0.6420000    
 O   -4.915900       1.110900     -0.5033000    
 O    1.133000      -2.191800      -1.410700    
 O    6.360000       1.561600     -0.6146000    
 N   0.1258000      -2.027700      0.7076000    
 C   -1.781600     -0.5526000      0.2387000    
 C   -3.138700     -0.4169000     -6.1299998E-02
 C   -1.227600      -1.827200      0.4070000    
 C   -1.520300       1.979800      0.2010000    
 C   -2.031700      -2.959800      0.2748000    
 C  -0.9227000      0.6409000      0.3807000    
 C   -2.877300       2.115400     -9.9200003E-02
 C   -3.736100      0.9220000     -0.2413000    
 C   -3.941900      -1.556000     -0.1929000    
 C   -3.385900      -2.824500     -2.4400000E-02
 C  -0.7173000       3.119000      0.3337000    
 C   -3.431300       3.390200     -0.2673000    
 C   -1.474800      -4.337000      0.4489000    
 C    1.193200      -2.192100     -0.1854000    
 C    2.502600      -2.383400      0.5637000    
 C   -1.273500       4.387400      0.1664000    
 C   -2.627500       4.522700     -0.1339000    
 C    3.532300      -1.329900      0.2491000    
 C    4.417800      -1.533100     -0.7993000    
 C    3.579600     -0.1726000       1.012800    
 C    5.371400     -0.5577000      -1.090500    
 C    4.533300      0.8029000      0.7215000    
 C    5.429100      0.6104000     -0.3302000    
 C    6.363600       2.731500      0.2023000    
 H   -4.001400      -3.716300     -0.1253000    
 H   0.3601000      -1.839800       1.679900    
 H   0.3413000       3.043000      0.5669000    
 H   -4.483500       3.527600     -0.5016000    
 H  -0.7596000      -4.563600     -0.3485000    
 H  -0.9791000      -4.434400       1.420600    
 H   -2.258200      -5.102100      0.4131000    
 H    2.886600      -3.376100      0.2941000    
 H    2.344400      -2.426200       1.648300    
 H  -0.6500000       5.270800      0.2698000    
 H   -3.057900       5.511500     -0.2641000    
 H    4.380100      -2.438200      -1.398700    
 H    2.886400     -1.5000000E-02   1.834200    
 H    6.066300     -0.7131000      -1.911300    
 H    4.522300       1.685600       1.351800    
 H    6.596600       2.493000       1.245700    
 H    5.428800       3.293800      0.1040000    
 H    7.166400       3.379400     -0.1644000    


%chk=000153217-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153217

0 1
Br -5.256282 -1.519468 -1.968827
O 0.017000 0.580662 1.602631
O -4.632994 1.246888 -1.261942
O 1.257761 -3.460491 -0.491552
O 5.989364 1.382693 -1.282839
N 0.202195 -1.894232 0.931826
C -1.684644 -0.483233 0.224986
C -2.946305 -0.316759 -0.466151
C -1.072390 -1.786367 0.335354
C -1.593927 2.050133 0.642009
C -1.791138 -2.953579 -0.087951
C -1.026064 0.697401 0.851677
C -2.800613 2.222705 -0.083057
C -3.540307 1.051890 -0.645160
C -3.573173 -1.484705 -0.972772
C -3.018455 -2.763241 -0.748015
C -0.924566 3.178538 1.181715
C -3.330344 3.523489 -0.267798
C -1.347370 -4.361255 0.233892
C 1.285290 -2.685125 0.504789
C 2.563116 -2.458519 1.331437
C -1.453268 4.469072 0.991166
C -2.659407 4.642177 0.263471
C 3.470402 -1.419260 0.672889
C 4.175236 -1.733960 -0.520872
C 3.610556 -0.121458 1.215182
C 5.000839 -0.783393 -1.145049
C 4.438867 0.847358 0.601518
C 5.137450 0.512136 -0.583738
C 6.153393 2.736853 -0.751367
H -3.574931 -3.644609 -1.081116
H 0.439713 -1.048960 1.499344
H 0.000860 3.014521 1.741092
H -4.265110 3.625442 -0.827227
H -0.563831 -4.699757 -0.465992
H -0.905011 -4.414313 1.245297
H -2.203709 -5.054669 0.188192
H 3.076528 -3.434565 1.384569
H 2.306749 -2.148322 2.359910
H -0.934468 5.340372 1.404552
H -3.069585 5.646945 0.116805
H 4.061839 -2.728911 -0.965996
H 3.068396 0.147652 2.129874
H 5.548040 -1.017357 -2.063310
H 4.527736 1.840888 1.051055
H 6.591361 2.721206 0.266011
H 5.188976 3.281360 -0.731027
H 6.846024 3.235927 -1.444886


