%chk=000023465.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023465

0 1
 Br  -2.411000       1.680800       2.491600    
 O  -4.4000000E-03 -0.7025000       1.244300    
 O   -1.568600      -1.678200      -1.504300    
 N    1.409500       1.389800     -0.1916000    
 N    3.930700      -1.172300      0.9054000    
 C    3.037700     -0.5132000     -4.6999998E-02
 C    2.374800      0.6857000      0.6484000    
 C    3.848500     -0.1040000      -1.275900    
 C   7.9700001E-02   1.105400     -0.2726000    
 C    1.726200       2.432200      -1.009900    
 C    5.003400     -0.2653000       1.311800    
 C    4.486700      -2.393500      0.3241000    
 C  -0.4760000       1.990800      -1.169700    
 C   0.5656000       2.830200      -1.636000    
 C  -0.5856000      6.8400003E-02  0.4555000    
 C   -2.055500     -0.1681000      0.2989000    
 C   -2.455600      -1.040800     -0.6890000    
 C   -2.947000      0.4779000       1.124600    
 C   -3.819400      -1.279100     -0.8590000    
 C   -4.310900      0.2397000      0.9543000    
 C   -4.747100     -0.6390000     -3.7300002E-02
 C   -1.081600      -2.944800      -1.066700    
 H    2.250900      -1.212900     -0.3573000    
 H    3.109200       1.462400      0.8950000    
 H    1.906300      0.4287000       1.601900    
 H    4.520700      0.7413000      -1.098800    
 H    3.159900      0.2247000      -2.064300    
 H    4.414700     -0.9153000      -1.739400    
 H    2.735800       2.813000      -1.086800    
 H    4.650900      0.6073000       1.867400    
 H    5.669900      5.6699999E-02  0.5061000    
 H    5.644900     -0.7913000       2.032000    
 H    4.930900      -2.997300       1.124600    
 H    5.278400      -2.225600     -0.4131000    
 H    3.706000      -3.017600     -0.1257000    
 H   -1.514400       2.041900      -1.467600    
 H   0.4801000       3.637300      -2.349800    
 H   -4.167000      -1.961500      -1.630000    
 H   -5.049100      0.7289000       1.584800    
 H   -5.809000     -0.8245000     -0.1699000    
 H  -0.7026000      -2.899500     -4.1700002E-02
 H  -0.2634000      -3.243300      -1.727700    
 H   -1.876500      -3.694200      -1.134600    


%chk=000023465-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023465

0 1
Br -2.482175 1.779280 2.297327
O 0.131571 -0.933191 1.053725
O -1.457939 -1.826169 -1.562543
N 1.451932 1.544204 0.000358
N 4.129131 -1.008891 0.889910
C 3.105880 -0.386884 0.003935
C 2.501332 0.830545 0.762708
C 3.597637 -0.030045 -1.423036
C 0.103830 1.150862 -0.178964
C 1.660049 2.720400 -0.694278
C 5.447360 -0.348689 0.924064
C 4.238158 -2.472078 0.745289
C -0.512859 2.127308 -1.008183
C 0.461202 3.107401 -1.331597
C -0.502664 -0.033783 0.402580
C -1.999350 -0.204561 0.179621
C -2.431135 -1.165134 -0.778626
C -2.995752 0.480509 0.909628
C -3.802282 -1.410193 -1.008221
C -4.372341 0.248008 0.705688
C -4.769297 -0.700085 -0.264606
C -1.037564 -3.146241 -1.035465
H 2.286545 -1.123721 -0.082269
H 3.289381 1.569559 0.996969
H 2.075962 0.451897 1.704138
H 4.362081 0.769579 -1.410513
H 2.756858 0.312949 -2.051165
H 4.041051 -0.917373 -1.911248
H 2.635867 3.204115 -0.688311
H 5.336679 0.736034 1.098941
H 6.048718 -0.486218 -0.008613
H 6.035697 -0.761157 1.764329
H 4.868787 -2.876270 1.558998
H 4.689142 -2.802329 -0.225096
H 3.236903 -2.928225 0.834970
H -1.554211 2.102523 -1.324568
H 0.326364 3.994584 -1.947306
H -4.090959 -2.135766 -1.775137
H -5.116118 0.794069 1.292070
H -5.835871 -0.879160 -0.436147
H -0.555814 -3.021069 -0.048461
H -0.319240 -3.538149 -1.771397
H -1.905845 -3.829148 -0.954498


