%chk=000152829.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152829

0 1
 Br  -2.964900       2.414500     -6.4300001E-02
 O  -0.2277000       3.400100     -0.6577000    
 O   -4.089400     -0.1727000       1.525600    
 O   -4.741000     -0.1529000     -0.6821000    
 N    3.368300     -8.6300001E-02 -0.3549000    
 N  -0.1166000      -2.128500     -0.5644000    
 C    3.112700     -0.1442000       1.091200    
 C    4.648100     -0.7240000     -0.6942000    
 C    4.226000      0.5509000       1.876400    
 C    5.811600     -4.7600001E-02  3.2499999E-02
 C    5.591900     -3.7200000E-02   1.541000    
 C    2.272400     -0.7133000      -1.093500    
 C   0.9567000     -2.9500000E-02 -0.8327000    
 C  -0.1806000     -0.7837000     -0.5792000    
 C   0.9338000       1.363300     -0.8570000    
 C   -1.387600     -9.3300000E-02 -0.3415000    
 C  -0.2584000       2.036800     -0.6220000    
 C   -1.418000       1.311400     -0.3645000    
 C   -2.540000     -0.8484000     -8.4799998E-02
 C   -2.477200      -2.234200     -6.8899997E-02
 C   -1.251600      -2.820200     -0.3128000    
 C   -3.887800     -0.3636000      0.1871000    
 C   -5.380700      0.3026000       1.920900    
 H    3.028500      -1.186700       1.427400    
 H    2.180200      0.3564000       1.371300    
 H    4.828000     -0.6444000      -1.773200    
 H    4.631700      -1.793100     -0.4444000    
 H    4.037600      0.4535000       2.951700    
 H    4.222900       1.624100       1.646800    
 H    5.920300      0.9832000     -0.3281000    
 H    6.747100     -0.5682000     -0.2012000    
 H    6.381800      0.5413000       2.032400    
 H    5.654200      -1.062000       1.927200    
 H    2.234000      -1.782700     -0.8530000    
 H    2.461900     -0.6425000      -2.173000    
 H    1.836000       1.929400      -1.076400    
 H   -3.346300      -2.854500      0.1256000    
 H   -1.141300      -3.899600     -0.3132000    
 H   0.6765000       3.701600     -0.8501000    
 H   -5.638900       1.222300       1.388100    
 H   -5.350600      0.5158000       2.992600    
 H   -6.131800     -0.4710000       1.736200    


%chk=000152829-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000152829

0 1
Br -3.069212 2.461905 -0.570904
O -0.221619 3.312841 -0.243435
O -4.219529 0.115280 1.272150
O -5.224500 -0.535457 -0.732221
N 3.386839 -0.269114 -0.040955
N -0.337397 -2.278990 -0.641649
C 3.528740 -0.247045 1.440051
C 4.637638 -0.726825 -0.700499
C 4.679923 0.682086 1.874760
C 5.820583 0.192611 -0.335805
C 6.006077 0.266818 1.197115
C 2.197849 -1.040470 -0.472802
C 0.906212 -0.236732 -0.376400
C -0.367603 -0.906462 -0.455803
C 0.933610 1.148454 -0.266360
C -1.613629 -0.141610 -0.368125
C -0.268255 1.917382 -0.274752
C -1.520727 1.289368 -0.341135
C -2.829830 -0.920522 -0.359793
C -2.766855 -2.300446 -0.596036
C -1.503622 -2.938966 -0.747835
C -4.200479 -0.396818 -0.024637
C -5.524568 0.650310 1.726685
H 3.720513 -1.280320 1.832283
H 2.572785 0.093878 1.878696
H 4.475721 -0.721721 -1.794722
H 4.889983 -1.779360 -0.405084
H 4.778150 0.653209 2.976909
H 4.429435 1.723105 1.589767
H 5.618581 1.206324 -0.733669
H 6.740944 -0.182155 -0.823420
H 6.813652 0.977333 1.456051
H 6.316977 -0.728288 1.577679
H 2.072727 -1.994243 0.087763
H 2.335618 -1.340027 -1.530301
H 1.919034 1.632629 -0.220425
H -3.687534 -2.890326 -0.622668
H -1.444276 -4.018014 -0.927720
H 0.716414 3.628807 -0.240893
H -5.772288 1.556714 1.147663
H -5.375115 0.889543 2.788348
H -6.319167 -0.101784 1.589028


