%chk=000159038.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159038

0 1
 Br  -5.778100     -0.9557000      -2.081300    
 Br  -3.208700      -1.935300       2.910200    
 O   -2.625800       1.792700     -0.1872000    
 O   -2.380100      -1.241100      -2.189200    
 O   -5.526900      -1.751100      0.9227000    
 O    1.257600       3.218600      -1.310500    
 N   -1.505900       2.636800      2.5500000E-02
 N    1.573200       2.242900      0.7987000    
 N    4.566700      -1.395100     -0.4663000    
 N    6.630400      -1.904200      0.1774000    
 N    5.674000      -3.000600      -1.749400    
 C   -2.149000      0.4460000     -0.4435000    
 C  -0.7282000      0.6443000     -0.9671000    
 C   -3.080800     -0.2012000      -1.502300    
 C   -2.183400     -0.2915000      0.8809000    
 C  -0.4807000       1.982000     -0.3953000    
 C   -4.331300     -0.8042000     -0.9028000    
 C   -3.220900      -1.062600       1.252200    
 C   -4.381800      -1.197300      0.3827000    
 C   0.8817000       2.550900     -0.3542000    
 C    2.921800       2.691800       1.057900    
 C    3.973200       1.710500      0.5494000    
 C    3.832000      0.3208000       1.182000    
 C    4.842700     -0.6469000      0.6184000    
 C   -6.352100     -0.7481000       1.480500    
 C    6.096500     -0.9547000       1.012200    
 C    5.683500      -2.147800     -0.7014000    
 H  -0.6765000      0.7324000      -2.057200    
 H  -9.4999997E-03 -0.1014000     -0.6181000    
 H   -3.350000      0.5616000      -2.243700    
 H   -1.339300     -0.1553000       1.553500    
 H   -2.079700      -1.890900      -1.530800    
 H    3.068400       3.667500      0.5818000    
 H    3.016600       2.825700       2.140700    
 H    1.120900       1.670900       1.506300    
 H    3.890800       1.625300     -0.5421000    
 H    4.971600       2.114200      0.7585000    
 H    2.825800     -8.2699999E-02   1.015600    
 H    3.969700      0.3924000       2.267900    
 H    3.711400      -1.406300      -1.006700    
 H   -5.852800     -0.2209000       2.300800    
 H   -7.242500      -1.233400       1.891800    
 H   -6.685900     -2.4300000E-02  0.7295000    
 H    6.661200     -0.5583000       1.843300    
 H    6.476700      -3.582000      -1.967700    
 H    4.873500      -3.102900      -2.365800    


%chk=000159038-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159038

0 1
Br -6.225851 2.020163 -0.064033
Br -4.818091 -3.592124 0.456189
O -2.015749 0.447621 0.973353
O -3.790085 0.906552 -2.338906
O -6.513023 -0.987781 0.776490
O 1.464947 1.147334 -2.048070
N -0.730591 1.065800 0.807658
N 1.733465 2.120077 0.066964
N 5.439292 -1.226633 0.090470
N 7.372428 -1.457188 1.248824
N 6.857292 -3.162103 -0.414387
C -2.483226 -0.092775 -0.438581
C -1.222338 0.076929 -1.316070
C -3.628402 0.883666 -0.868729
C -2.936498 -1.505755 -0.214543
C -0.296530 0.878520 -0.424347
C -4.935687 0.573704 -0.179966
C -4.227136 -1.754089 0.147389
C -5.246998 -0.681321 0.282075
C 1.038742 1.390399 -0.871659
C 3.053041 2.712970 -0.222859
C 4.200615 1.676395 -0.274137
C 4.406733 0.912463 1.061210
C 5.483717 -0.134150 0.996820
C -6.620176 -1.066785 2.256506
C 6.672655 -0.316215 1.699053
C 6.595313 -1.982777 0.280623
H -1.453237 0.606784 -2.255270
H -0.755022 -0.885332 -1.591624
H -3.294482 1.905863 -0.624544
H -2.202839 -2.311033 -0.306280
H -4.386994 0.162235 -2.612710
H 2.994069 3.227784 -1.199764
H 3.252916 3.472515 0.555206
H 1.297919 2.246500 0.985009
H 3.984341 0.968261 -1.095507
H 5.135674 2.202935 -0.545992
H 3.437594 0.461344 1.362882
H 4.680318 1.628422 1.859428
H 4.668411 -1.438949 -0.540787
H -5.933433 -1.830962 2.663638
H -7.663213 -1.354332 2.450580
H -6.403850 -0.079007 2.702045
H 7.081747 0.307534 2.491183
H 7.695702 -3.656568 -0.115898
H 6.586523 -3.255393 -1.391132


