%chk=000054753.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054753

0 1
 Br   6.428500     -0.6813000      0.6747000    
 O   0.3143000       1.955200     -0.7931000    
 N   -3.800300      0.8574000      0.1668000    
 N  -0.3109000     -0.2550000     -0.4774000    
 C   -2.481300      0.3207000      0.5183000    
 C   -1.718700     -7.1699999E-02 -0.7616000    
 C   -2.648100     -0.8792000       1.464000    
 C   -2.305800      -1.318500      -1.439000    
 C   -3.260500      -2.098100      0.7740000    
 C   -2.477600      -2.492300     -0.4744000    
 C   -3.659300       1.999700     -0.7327000    
 C   -4.529800       1.239000       1.373600    
 C   0.5947000      0.7913000     -0.5191000    
 C    2.007200      0.4341000     -0.2285000    
 C    2.843600       1.397600      0.2960000    
 C    2.438100     -0.8493000     -0.4940000    
 C    4.170200       1.062800      0.5672000    
 C    3.764700      -1.184200     -0.2228000    
 C    4.630900     -0.2282000      0.3079000    
 H   -1.906400       1.089100       1.055900    
 H   -1.725900      0.7280000      -1.505900    
 H   -3.191700     -0.6457000       2.383800    
 H   -1.647700      -1.167600       1.817700    
 H   -1.666900      -1.631500      -2.274000    
 H   -3.284200      -1.071100      -1.869300    
 H   -4.303400      -1.892700      0.5054000    
 H   -3.276700      -2.942500       1.472800    
 H   -1.494100      -2.878400     -0.1808000    
 H   -2.993900      -3.312600     -0.9863000    
 H  -2.2299999E-02  -1.166300     -0.1387000    
 H   -3.446700       1.692700      -1.761000    
 H   -2.902700       2.717400     -0.3948000    
 H   -4.608000       2.545500     -0.8138000    
 H   -5.436800       1.799100       1.113200    
 H   -3.937500       1.872000       2.044300    
 H   -4.903200      0.3704000       1.924000    
 H    2.498700       2.405200      0.5079000    
 H    1.805600      -1.611100     -0.9379000    
 H    4.831900       1.819200      0.9815000    
 H    4.110100      -2.192300     -0.4375000    


%chk=000054753-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054753

0 1
Br 6.648631 -0.643110 0.701097
O 0.293303 1.922512 -0.713524
N -3.829614 0.936826 0.105075
N -0.302646 -0.316948 -0.536054
C -2.483982 0.394174 0.474618
C -1.732015 -0.070045 -0.825064
C -2.555540 -0.797801 1.463139
C -2.395860 -1.322654 -1.439840
C -3.233301 -2.048684 0.855312
C -2.509769 -2.497488 -0.437097
C -3.727232 2.240377 -0.599322
C -4.776157 1.057442 1.237747
C 0.625157 0.707699 -0.515467
C 2.057806 0.321007 -0.236836
C 2.931785 1.342700 0.212499
C 2.572197 -0.987808 -0.425597
C 4.285382 1.068183 0.495663
C 3.927125 -1.279470 -0.153275
C 4.765798 -0.245973 0.312951
H -1.865043 1.200090 0.942975
H -1.744754 0.754709 -1.556912
H -3.057027 -0.495636 2.399563
H -1.514592 -1.050252 1.749934
H -1.843085 -1.629009 -2.348897
H -3.414362 -1.023907 -1.748956
H -4.287933 -1.818135 0.609787
H -3.241142 -2.871578 1.596012
H -1.502976 -2.893962 -0.177519
H -3.051341 -3.338010 -0.911212
H -0.021801 -1.263524 -0.278648
H -3.126016 2.153027 -1.517807
H -3.260154 3.035828 0.032188
H -4.738364 2.575317 -0.890991
H -5.718581 1.496311 0.864028
H -4.401369 1.710312 2.066147
H -5.017574 0.068747 1.660993
H 2.528306 2.354018 0.325194
H 1.941279 -1.791167 -0.823917
H 4.951869 1.859813 0.848853
H 4.321692 -2.287131 -0.310443


