%chk=000108440.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108440

0 1
 Br   8.611800     -0.8244000     -0.1872000    
 O   -2.707400       2.129100      -2.097200    
 O   -2.229600       1.785000       2.558400    
 O  -0.6909000       2.794800      -1.313600    
 O  -0.9857000       3.289700       1.411300    
 C   -1.751300      4.5800000E-02  0.2257000    
 C   -2.175000       1.546200      0.1722000    
 C   -2.469900     -0.8710000     -0.8043000    
 C  -0.2284000     -8.2699999E-02  0.1649000    
 C   -3.875600      -1.282200     -0.4331000    
 C   0.4883000      8.3999997E-03   1.336200    
 C   0.3680000     -0.2837000      -1.059100    
 C   -1.758500       2.224600      -1.130100    
 C   -1.713300       2.305600       1.413500    
 C    2.511600     -0.3125000      5.5100001E-02
 C    1.877200     -0.1080000       1.280500    
 C    1.756900     -0.4002000      -1.114700    
 C   -4.072000      -2.442300      0.2982000    
 C   -4.941100     -0.4914000     -0.8314000    
 C    3.952300     -0.4339000     -2.3000001E-03
 C   -5.369800      -2.822000      0.6408000    
 C   -6.238800     -0.8711000     -0.4887000    
 C   -6.453200      -2.036300      0.2475000    
 C    4.651400     -0.9635000       1.082200    
 C    4.641800     -2.0800000E-02  -1.142200    
 C    6.040300      -1.079700       1.027200    
 C    6.030700     -0.1372000      -1.197400    
 C    6.730100     -0.6665000     -0.1126000    
 H   -2.042400     -0.3464000       1.212000    
 H   -3.270100       1.621000      0.2138000    
 H   -2.482100     -0.4190000      -1.803400    
 H   -1.897200      -1.801600     -0.9305000    
 H   8.2000000E-03  0.1599000       2.297400    
 H  -0.1910000     -0.3442000      -1.986300    
 H    2.424700     -5.1000002E-03   2.213400    
 H    2.204200     -0.5853000      -2.087500    
 H   -3.235000      -3.059200      0.6121000    
 H   -4.788900      0.4143000      -1.409800    
 H   -5.536700      -3.728800       1.214500    
 H   -7.082600     -0.2602000     -0.7962000    
 H   -7.463600      -2.332000      0.5141000    
 H   -2.425400       2.563800      -2.930100    
 H   -1.937300       2.284200       3.350600    
 H    4.154900      -1.326600       1.977900    
 H    4.143600      0.4258000      -1.998200    
 H    6.570000      -1.500500       1.878100    
 H    6.554300      0.1954000      -2.090100    


%chk=000108440-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108440

0 1
Br 8.967752 -0.562091 -0.222663
O -3.430250 2.854734 -1.123240
O -1.758214 1.867445 2.458754
O -2.043863 1.377328 -2.239796
O -0.959784 3.193015 0.725331
C -1.712777 -0.221131 0.354093
C -2.376755 1.202202 0.237235
C -2.382011 -1.266239 -0.599145
C -0.185462 -0.231725 0.236128
C -3.890098 -1.374850 -0.415417
C 0.594595 -0.532217 1.382457
C 0.495586 0.019035 -0.984184
C -2.548739 1.774690 -1.168450
C -1.625820 2.211860 1.106288
C 2.686534 -0.332860 0.099501
C 2.001881 -0.582659 1.318987
C 1.901655 -0.031854 -1.047313
C -4.436749 -1.924974 0.774870
C -4.783100 -0.924538 -1.421920
C 4.173964 -0.385587 0.024906
C -5.834013 -2.019675 0.955941
C -6.183020 -1.019370 -1.245955
C -6.713707 -1.564943 -0.054997
C 4.919033 -1.284961 0.836379
C 4.895372 0.461251 -0.861042
C 6.327501 -1.343469 0.771756
C 6.303592 0.416770 -0.940854
C 7.006539 -0.488749 -0.120279
H -1.951958 -0.529158 1.390138
H -3.398164 1.113055 0.655745
H -2.141990 -1.015097 -1.645783
H -1.900868 -2.238762 -0.379081
H 0.091387 -0.720369 2.338920
H -0.078517 0.260000 -1.883643
H 2.574204 -0.785819 2.231310
H 2.396615 0.137341 -2.010384
H -3.762840 -2.294658 1.558586
H -4.376804 -0.508532 -2.352333
H -6.237394 -2.452413 1.878529
H -6.856785 -0.671539 -2.037189
H -7.798066 -1.640741 0.082730
H -3.507590 3.263210 -2.027775
H -1.227212 2.504099 3.009852
H 4.394949 -1.973727 1.507966
H 4.356504 1.188659 -1.477724
H 6.881868 -2.049513 1.396585
H 6.840519 1.082827 -1.622219


