%chk=000042457.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042457

0 1
 Br   5.788200     -0.5542000       1.843200    
 O   0.6269000     -0.2330000      -1.296800    
 O    2.269600      -2.353900      -1.576000    
 O   -5.042100      -1.618600      0.7926000    
 O  -0.6123000       3.731200      0.9665000    
 O   -1.387200       3.367300      -1.062800    
 N  -0.6736000       3.087800     -8.9900002E-02
 C  -0.3273000      0.8369000      -1.097300    
 C   0.1449000       1.928600     -0.1945000    
 C   -1.576900      0.1858000     -0.5964000    
 C    1.778900     -0.2379000     -0.5537000    
 C    2.144200      0.7879000      0.3281000    
 C    1.286200       1.955200      0.4881000    
 C    2.610000      -1.349000     -0.7200000    
 C   -2.724000      0.1881000      -1.385900    
 C   -1.587900     -0.4199000      0.6578000    
 C    3.345300      0.6874000       1.040300    
 C    3.803300      -1.442500     -5.4000001E-03
 C    4.170300     -0.4261000      0.8742000    
 C   -3.889600     -0.4189000     -0.9185000    
 C   -2.753500      -1.027000       1.125200    
 C   -3.904500      -1.026700      0.3370000    
 C    1.499300      -3.427400      -1.040200    
 C   -4.987900      -2.221300       2.084700    
 H  -0.4856000       1.246900      -2.103000    
 H    1.625900       2.768600       1.118400    
 H   -2.728000      0.6573000      -2.366000    
 H  -0.7029000     -0.4363000       1.287300    
 H    3.636800       1.480900       1.725800    
 H    4.442100      -2.312100     -0.1417000    
 H   -4.783100     -0.4153000      -1.536900    
 H   -2.695300      -1.481100       2.108500    
 H    1.296000      -4.138600      -1.845500    
 H   0.5451000      -3.060900     -0.6484000    
 H    2.056400      -3.942000     -0.2510000    
 H   -4.790600      -1.480000       2.866500    
 H   -4.275000      -3.052500       2.111400    
 H   -5.978100      -2.643000       2.286600    


%chk=000042457-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042457

0 1
Br 5.216900 -1.073842 2.704096
O 0.844261 -0.005502 -1.524568
O 2.337111 -2.541340 -1.450872
O -4.603343 -2.162562 1.035700
O -0.066224 4.359448 0.264260
O -1.463969 3.423417 -1.291118
N -0.460744 3.366735 -0.467111
C -0.307432 0.941473 -1.191397
C 0.244626 2.090781 -0.374921
C -1.442339 0.173696 -0.540471
C 1.760389 -0.282356 -0.504899
C 2.059855 0.701295 0.490391
C 1.336908 1.959369 0.438705
C 2.486087 -1.508571 -0.530057
C -2.395197 -0.477029 -1.371259
C -1.563268 0.036779 0.862809
C 3.090025 0.477470 1.444794
C 3.506548 -1.718282 0.432776
C 3.797341 -0.732545 1.396256
C -3.431531 -1.245341 -0.820709
C -2.598359 -0.733631 1.435304
C -3.535665 -1.378852 0.589476
C 1.039216 -2.773103 -2.123791
C -4.777836 -2.322173 2.483839
H -0.612795 1.290011 -2.190117
H 1.668655 2.814396 1.037491
H -2.324292 -0.369248 -2.460269
H -0.852531 0.542061 1.525707
H 3.317917 1.241634 2.193123
H 4.047072 -2.667673 0.398859
H -4.176123 -1.741289 -1.450096
H -2.668029 -0.817070 2.523620
H 1.149724 -3.767535 -2.581758
H 0.851623 -2.005806 -2.890288
H 0.210613 -2.776987 -1.393148
H -4.953846 -1.346483 2.975843
H -3.900930 -2.819742 2.940873
H -5.666419 -2.959903 2.595227


