%chk=000050510.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050510

0 1
 Br  -1.713100       2.727600      0.2281000    
 Br  -3.142000      -3.454600     -0.4009000    
 O    6.182900     -0.6136000       1.474400    
 O  -0.5818000      -2.197000     -0.7285000    
 O    1.297900       2.919400     -0.3502000    
 N    4.094600      1.8300001E-02 -0.3535000    
 C    3.198700      0.9596000      -1.022400    
 C    3.873900      3.0500000E-02   1.099300    
 C    5.498700      0.3325000     -0.6521000    
 C    1.751000      0.6244000     -0.7802000    
 C    4.828100     -0.9493000       1.776500    
 C    6.414000     -0.6552000      6.5800004E-02
 C  -0.9286000      3.0000001E-04 -0.3339000    
 C    1.359000     -0.7075000     -0.8983000    
 C   1.0200000E-02 -0.9711000     -0.6662000    
 C   0.8482000       1.631600     -0.4499000    
 C  -0.5028000       1.335400     -0.2221000    
 C   -2.161500     -0.6886000     -0.1878000    
 C   -1.896400      -2.015200     -0.4374000    
 C   -3.469500     -0.1977000      0.1477000    
 C   -4.339200      0.2135000     -0.8617000    
 C   -3.867800     -0.1330000       1.482500    
 C   -5.608800      0.6904000     -0.5360000    
 C   -5.137600      0.3439000       1.808100    
 C   -6.008100      0.7555000      0.7988000    
 H    3.361600      0.9210000      -2.107700    
 H    3.436500       1.982700     -0.7066000    
 H    2.857400     -0.2660000       1.375400    
 H    4.049100       1.038300       1.499400    
 H    5.739100       1.353200     -0.3270000    
 H    5.681900      0.2674000      -1.730700    
 H    4.708000     -0.8958000       2.863300    
 H    4.629800      -1.984000       1.471300    
 H    6.269400      -1.679500     -0.2990000    
 H    7.461000     -0.3868000     -0.1077000    
 H    2.040700      -1.505300      -1.168700    
 H   0.5456000       3.489100     -0.1142000    
 H   -4.043300      0.1700000      -1.907300    
 H   -3.201100     -0.4491000       2.281400    
 H   -6.286500       1.011300      -1.321700    
 H   -5.448400      0.3951000       2.847500    
 H   -6.996600       1.127000       1.052400    


%chk=000050510-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050510

0 1
Br -1.900247 2.899345 -0.016535
Br -2.887928 -3.617096 0.344161
O 6.599518 -0.979987 0.937334
O -0.481322 -2.204410 0.026369
O 1.188212 3.085897 -0.462360
N 4.178480 0.125621 -0.223182
C 3.215493 1.172131 -0.631139
C 4.374991 0.077277 1.250745
C 5.486353 0.239738 -0.918233
C 1.765016 0.754376 -0.409156
C 5.298793 -1.094184 1.619067
C 6.390352 -0.938516 -0.519539
C -1.007119 0.060939 -0.076623
C 1.402054 -0.601211 -0.295755
C 0.047508 -0.899529 -0.131640
C 0.749359 1.761186 -0.344640
C -0.614774 1.418902 -0.170773
C -2.257203 -0.686690 0.109838
C -1.868078 -2.017197 0.172464
C -3.654323 -0.189243 0.191250
C -4.249276 0.477211 -0.912385
C -4.427758 -0.403948 1.361875
C -5.585778 0.925525 -0.843105
C -5.765460 0.043466 1.430407
C -6.348470 0.711176 0.328864
H 3.362832 1.372598 -1.711528
H 3.396539 2.143592 -0.115099
H 3.393147 -0.054458 1.742006
H 4.821810 1.031578 1.626357
H 6.007134 1.197415 -0.666348
H 5.316753 0.218887 -2.011674
H 5.529860 -1.095879 2.696902
H 4.813211 -2.054520 1.339951
H 5.928308 -1.891111 -0.858619
H 7.396005 -0.835473 -0.959498
H 2.181397 -1.365993 -0.338707
H 0.415745 3.708100 -0.376429
H -3.664076 0.637751 -1.824367
H -3.975037 -0.913880 2.219560
H -6.032550 1.436246 -1.703362
H -6.349089 -0.125840 2.342029
H -7.386182 1.058905 0.381718


