%chk=000042821.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042821

0 1
 Br   2.747300       3.290700     -0.1109000    
 O   0.1548000      -2.159200      0.2199000    
 O   -2.053500     -0.7993000      0.8023000    
 N   -2.229100       1.143500     -0.4511000    
 C  -5.2900001E-02  0.2210000      0.1280000    
 C   0.7376000     -0.9280000      0.1450000    
 C    2.127100     -0.8197000      8.6300001E-02
 C   0.5461000       1.478500      5.2099999E-02
 C   -1.505700      0.1314000      0.1879000    
 C    2.725900      0.4378000      1.0600000E-02
 C    1.935500       1.586900     -6.5000001E-03
 C   -3.673100       1.206900     -0.4604000    
 C    2.990300      -2.038100      0.1040000    
 C   -4.278700      4.3299999E-02  0.3059000    
 C  -0.1715000      -2.795700      -1.013100    
 H  -4.5800000E-02   2.390000      6.9200002E-02
 H    3.809300      0.5209000     -3.7400000E-02
 H   -3.966400       2.163200     -1.6799999E-02
 H   -3.999100       1.197600      -1.505000    
 H   -1.744500       1.859200     -0.9822000    
 H    4.015000      -1.797100      0.4079000    
 H    2.617600      -2.778000      0.8201000    
 H    3.029700      -2.489600     -0.8919000    
 H   -4.072200     -0.9287000     -0.1538000    
 H   -4.039100      6.0400002E-02   1.374100    
 H   -5.370700      0.1487000      0.2613000    
 H  -0.8812000      -2.191500      -1.587100    
 H  -0.6388000      -3.758000     -0.7869000    
 H   0.7280000      -2.977600      -1.608700    


%chk=000042821-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042821

0 1
Br 2.165315 3.234802 1.389839
O 0.866470 -2.426003 -0.694740
O -1.997707 -1.515596 0.651500
N -2.281415 0.441366 -0.583231
C -0.018074 -0.188406 0.082524
C 1.015265 -1.136331 -0.183856
C 2.388264 -0.799099 0.054033
C 0.345555 1.113067 0.538404
C -1.497516 -0.500189 0.069942
C 2.712233 0.491334 0.518670
C 1.691388 1.438068 0.744762
C -3.754334 0.410466 -0.555449
C 3.468598 -1.824776 -0.213332
C -4.356660 1.577570 0.255051
C -0.367384 -2.877468 -1.357077
H -0.439076 1.835590 0.782288
H 3.759871 0.752866 0.695155
H -4.138531 0.425305 -1.593791
H -4.032136 -0.557648 -0.104993
H -1.814502 1.208887 -1.070557
H 4.468704 -1.411519 -0.000475
H 3.317691 -2.727156 0.406382
H 3.438627 -2.165811 -1.264056
H -4.011438 1.540867 1.302899
H -4.073290 2.558268 -0.170797
H -5.460067 1.513755 0.251615
H -1.132807 -3.143432 -0.611350
H -0.058281 -3.755387 -1.944911
H -0.762867 -2.093889 -2.031647


