%chk=000113927.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113927

0 1
 Br  -1.114900      -3.201900      0.7612000    
 O   0.4425000     -0.5710000      0.2053000    
 O    2.848200      -1.980600      0.4281000    
 O    4.578400      0.1690000      0.1561000    
 C  -0.5093000       1.992000     -0.5292000    
 C   -1.416900      0.8284000     -0.3014000    
 C  -0.9105000     -0.4176000      5.9300002E-02
 C  -0.2649000       2.796400      0.7543000    
 C    2.658700      -1.036700     -0.6286000    
 C    1.171600     -0.9590000     -0.9545000    
 C   -2.792900       1.000400     -0.4538000    
 C   -1.770400      -1.492700      0.2687000    
 C    3.197100      0.3086000     -0.1593000    
 C   0.6867000       3.959300      0.5223000    
 C   -3.657400     -7.4000001E-02 -0.2449000    
 C   -3.146200      -1.320400      0.1164000    
 H   0.4479000       1.683100     -0.9574000    
 H  -0.9504000       2.651800      -1.288700    
 H   -1.215400       3.181400       1.143000    
 H   0.1539000       2.144800       1.531100    
 H    3.228200      -1.397200      -1.491300    
 H   0.8289000      -1.949500      -1.275500    
 H    1.001600     -0.2602000      -1.780900    
 H   -3.205500       1.966400     -0.7326000    
 H    2.693000      0.6641000      0.7454000    
 H    3.097600       1.069600     -0.9389000    
 H    1.661700       3.603700      0.1737000    
 H   0.2852000       4.650800     -0.2252000    
 H   0.8405000       4.515100       1.452400    
 H   -4.728600      6.0199998E-02 -0.3630000    
 H   -3.835300      -2.145900      0.2752000    
 H    2.316100      -1.687500       1.187700    
 H    4.652400     -0.5132000      0.8452000    


%chk=000113927-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000113927

0 1
Br -0.933529 -3.147438 0.841116
O 0.486949 -0.419822 0.147298
O 2.771643 -1.951751 0.627987
O 4.705890 0.030148 0.301498
C -0.626981 2.130246 -0.586028
C -1.498962 0.901292 -0.388551
C -0.917257 -0.344124 -0.015607
C -0.240974 2.795219 0.766431
C 2.690361 -1.077481 -0.561729
C 1.239835 -0.947261 -1.029387
C -2.909598 0.976722 -0.494727
C -1.745627 -1.459163 0.259321
C 3.364397 0.270748 -0.226292
C 0.667286 4.026977 0.573804
C -3.727075 -0.144915 -0.235356
C -3.148001 -1.374514 0.151079
H 0.307916 1.867960 -1.116160
H -1.162607 2.868205 -1.213800
H -1.165443 3.084644 1.303450
H 0.271330 2.042779 1.395293
H 3.283944 -1.596301 -1.335945
H 0.827640 -1.933614 -1.312249
H 1.146139 -0.242241 -1.879494
H -3.367277 1.930320 -0.781974
H 2.738056 0.832508 0.499084
H 3.499997 0.879141 -1.138132
H 1.616409 3.747659 0.077874
H 0.174690 4.796553 -0.050432
H 0.920334 4.490904 1.544231
H -4.815622 -0.068239 -0.324193
H -3.771030 -2.246332 0.369681
H 1.974299 -1.754740 1.189754
H 4.614466 -0.726392 0.942354


