%chk=000002596.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002596

0 1
 Br   2.753200       2.376500     -8.7399997E-02
 O   0.7235000      -2.418500     -0.2342000    
 O  -0.2448000       2.826500      8.6199999E-02
 N    2.883700     -0.7823000     -0.2579000    
 N   -3.230700      -1.180000      4.0700000E-02
 C  -0.8598000     -0.7041000     -6.0500000E-02
 C   -1.118500      0.6561000      2.3600001E-02
 C    1.637400     -0.2255000     -0.1656000    
 C   0.5154000      -1.211900     -0.1593000    
 C  -1.0600000E-02   1.625300      1.4900000E-02
 C    1.378300       1.092000     -8.3700001E-02
 C   -2.437000       1.102900      0.1167000    
 C   -1.941400      -1.577800     -4.8300002E-02
 C   -3.444900      0.1513000      0.1209000    
 C    3.396300      -1.730400      0.6938000    
 H   -2.688700       2.155800      0.1846000    
 H    3.589300     -0.1362000     -0.6057000    
 H   -1.811700      -2.653800     -0.1107000    
 H   -4.486400      0.4474000      0.1915000    
 H    3.030100      -1.528200       1.706000    
 H    4.489500      -1.673900      0.7186000    
 H    3.131100      -2.754300      0.4150000    


%chk=000002596-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002596

0 1
Br 2.753060 2.517757 -0.126333
O 0.775760 -2.419722 0.332138
O -0.319563 2.962372 -0.241637
N 2.941211 -0.583144 0.210058
N -3.268846 -1.199073 0.128454
C -0.874691 -0.678877 0.124170
C -1.149767 0.705516 -0.022755
C 1.638945 -0.162939 0.130634
C 0.520009 -1.183271 0.205476
C -0.041766 1.725494 -0.106041
C 1.311225 1.195662 -0.020491
C -2.496167 1.121158 -0.092209
C -1.963896 -1.587211 0.194042
C -3.512970 0.142646 -0.012541
C 3.481149 -1.945622 0.370952
H -2.723313 2.184469 -0.205950
H 3.628534 0.176505 0.148542
H -1.770810 -2.658546 0.307159
H -4.569472 0.427269 -0.062548
H 3.124085 -2.419474 1.299908
H 4.580195 -1.861813 0.403583
H 3.190390 -2.602256 -0.465410


