%chk=000036436.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036436

0 1
 Br   6.199900      -1.380100      0.3292000    
 Br  -4.039700       3.106000     -0.3877000    
 O   -1.748000       1.150100     -0.1505000    
 O    3.091200       2.791400     -9.1600001E-02
 O    3.458700      -2.699300      0.3316000    
 O   0.9216000      -2.792400      0.2482000    
 O   0.5374000       2.514800     -0.1648000    
 O    5.506200       1.605600      8.1299998E-02
 O   -1.723100      -2.902000      0.1558000    
 O   -6.510800       1.253700     -0.3425000    
 C  -0.4676000     -0.8945000      5.2700002E-02
 C    2.069700     -0.7370000      0.1346000    
 C    1.973200      0.6479000      2.7100001E-02
 C  -0.5609000      0.4424000     -5.1600002E-02
 C   -2.990500     -0.9227000     -4.1200001E-02
 C   0.8563000      -1.572100      0.1537000    
 C   0.6566000       1.297800     -6.9399998E-02
 C   -1.735900      -1.681400      6.4099997E-02
 C   -2.929700      0.4619000     -0.1435000    
 C    3.134200       1.430900      1.0400000E-02
 C   -4.226500      -1.575400     -3.9400000E-02
 C    3.329100      -1.343500      0.2249000    
 C    4.387000      0.8239000      0.1002000    
 C    4.484400     -0.5615000      0.2076000    
 C   -4.104700       1.207900     -0.2457000    
 C   -5.401100     -0.8289000     -0.1408000    
 C   -5.340400      0.5610000     -0.2440000    
 C   -4.382000      -3.058300      6.5899998E-02
 C    3.025900       3.528200       1.126400    
 C    3.564700      -3.434000     -0.8842000    
 C    6.079800       1.880400      -1.193700    
 C   -7.115000       1.679300      0.8767000    
 H   -6.372500      -1.318000     -0.1423000    
 H   -3.905100      -3.561800     -0.7811000    
 H   -3.973200      -3.427400       1.012100    
 H   -5.436000      -3.360100      4.8599999E-02
 H    2.287900       3.106200       1.816400    
 H    2.736800       4.556100      0.8903000    
 H    4.009700       3.544700       1.605200    
 H    4.582800      -3.382500      -1.279100    
 H    2.861700      -3.070400      -1.641300    
 H    3.332300      -4.481200     -0.6706000    
 H    5.453800       2.592100      -1.740800    
 H    6.205300      0.9687000      -1.786200    
 H    7.063000       2.332300      -1.036300    
 H   -7.524300      0.8166000       1.411800    
 H   -7.935800       2.359500      0.6329000    
 H   -6.401700       2.207400       1.517100    


%chk=000036436-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036436

0 1
Br 6.291176 -1.610500 0.282550
Br -3.824345 3.123179 -0.569044
O -1.628151 1.066506 -0.272776
O 3.307625 2.680202 0.175303
O 3.505054 -2.916887 0.206346
O 0.906189 -2.926696 -0.770303
O 0.634188 2.350243 -0.990824
O 5.712841 1.351075 0.186771
O -1.639888 -3.004042 0.577670
O -6.471691 1.336746 -0.229398
C -0.421642 -1.039817 -0.133065
C 2.130223 -0.909045 -0.182900
C 2.055507 0.530513 -0.203218
C -0.460708 0.327993 -0.296032
C -2.931842 -1.009835 0.073165
C 0.885866 -1.726543 -0.368006
C 0.755991 1.175153 -0.524706
C -1.665577 -1.796728 0.190434
C -2.859613 0.400541 -0.138086
C 3.239095 1.308896 -0.022290
C -4.230219 -1.615404 0.180269
C 3.391054 -1.550666 -0.016605
C 4.523588 0.662464 0.020991
C 4.570534 -0.748845 0.052311
C -4.006605 1.224533 -0.215746
C -5.365090 -0.785606 0.093323
C -5.277306 0.617356 -0.089315
C -4.429864 -3.104452 0.374954
C 2.286696 3.403424 0.958636
C 3.747640 -3.811719 -0.953038
C 6.021295 2.502370 -0.698911
C -6.893388 2.140720 0.941464
H -6.368831 -1.216824 0.159737
H -3.886543 -3.690457 -0.385990
H -4.020834 -3.441540 1.342748
H -5.503183 -3.355553 0.326707
H 1.510491 3.798026 0.283925
H 2.841024 4.214836 1.454780
H 1.828354 2.734449 1.709995
H 4.630385 -3.471927 -1.525385
H 2.841459 -3.847351 -1.577666
H 3.945481 -4.796397 -0.505356
H 5.324865 3.334232 -0.518323
H 5.975251 2.183507 -1.756168
H 7.051433 2.778132 -0.431294
H -7.095043 1.478152 1.804461
H -7.818828 2.643337 0.625243
H -6.129416 2.892548 1.209162


