%chk=000153369.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153369

0 1
 Br   5.378700      -1.018100       1.356400    
 O    1.525000       2.965700     -7.1999997E-02
 O  -0.9745000       2.422000      6.8800002E-02
 O  -3.2200001E-02  -2.831400     -0.1990000    
 O   -3.504300       2.048200      0.2150000    
 C   0.8707000     -0.6625000     -0.1740000    
 C   0.6243000      0.7102000     -0.1032000    
 C   -1.876600      0.2539000      3.9900001E-02
 C   -1.630000      -1.118800     -3.0300001E-02
 C  -0.7583000       1.218700      6.3000000E-03
 C  -0.2474000      -1.627100     -0.1394000    
 C    2.185800      -1.131400     -0.2786000    
 C    1.693000       1.614100     -0.1367000    
 C    3.247700     -0.2272000     -0.3119000    
 C    3.001800       1.142600     -0.2410000    
 C   -3.191700      0.7230000      0.1424000    
 C   -2.698900      -2.022500      2.0000001E-03
 C   -4.253800     -0.1812000      0.1740000    
 C   -4.007900      -1.550900      0.1040000    
 C    4.648600     -0.7274000     -0.4230000    
 H    2.390400      -2.197900     -0.3337000    
 H    3.835200       1.841200     -0.2668000    
 H   -2.533800      -3.095200     -5.1199999E-02
 H   -5.277600      0.1750000      0.2533000    
 H   -4.836400      -2.252800      0.1289000    
 H    5.304500     -1.2000000E-02 -0.9281000    
 H    4.706000      -1.681600     -0.9554000    
 H    2.391300       3.405800     -0.1111000    
 H   -2.704000       2.593000      0.1865000    


%chk=000153369-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153369

0 1
Br 5.591651 -0.958693 1.376671
O 1.524292 3.030275 -0.049918
O -1.083027 2.519227 0.075694
O 0.004591 -2.888282 -0.230632
O -3.550390 2.068029 0.215977
C 0.863269 -0.633345 -0.174869
C 0.602215 0.774775 -0.097699
C -1.888418 0.269605 0.038206
C -1.644297 -1.136984 -0.036629
C -0.795363 1.256114 0.008524
C -0.250505 -1.644327 -0.151582
C 2.177528 -1.131447 -0.280007
C 1.730098 1.658612 -0.128494
C 3.281443 -0.248715 -0.317847
C 3.043810 1.141506 -0.245060
C -3.247031 0.734449 0.143722
C -2.713846 -2.053927 -0.005323
C -4.316163 -0.203505 0.174696
C -4.046058 -1.580234 0.101099
C 4.677301 -0.776681 -0.457196
H 2.312647 -2.216802 -0.327393
H 3.895702 1.835128 -0.262650
H -2.488093 -3.122377 -0.064722
H -5.336783 0.181133 0.256191
H -4.876567 -2.293410 0.126047
H 5.348485 -0.104748 -1.010943
H 4.711587 -1.794418 -0.869466
H 2.390060 3.515178 -0.061745
H -2.642536 2.579264 0.177449


