%chk=000050257.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050257

0 1
 Br   2.951600       2.292100       2.401500    
 O   -2.496200       3.022100     -0.1737000    
 O   -2.706200      -3.456100      0.4111000    
 O    3.818800      -1.502100      -2.746400    
 O    1.934500     -0.5822000      -2.096600    
 O    7.871200     -0.8044000     -0.2878000    
 O    7.871100      0.4496000       1.514000    
 N   -4.357900      0.9119000     -0.1738000    
 N  -0.7191000      -2.191800      0.5059000    
 N    1.122200     -3.9299998E-02  0.4997000    
 N    1.775100      0.8403000     -0.1077000    
 N    3.162500     -0.7875000      -1.953300    
 N   -8.046900      -1.252800       2.117900    
 N    7.275700     -7.7100001E-02  0.5433000    
 C   -2.975800      0.6772000     -4.1000000E-03
 C   -5.300300      0.5077000      0.8494000    
 C   -4.850300       1.546600      -1.379200    
 C   -2.070000       1.738000     -7.1999999E-03
 C   -2.519200     -0.6296000      0.1671000    
 C   -1.156600     -0.8756000      0.3351000    
 C  -0.2506000      0.1850000      0.3320000    
 C   -6.305200     -0.4975000      0.2967000    
 C  -0.7072000       1.491900      0.1609000    
 C   -4.478500      0.7027000      -2.555800    
 C   -1.489500      -3.360300      0.5345000    
 C   -7.278200     -0.9189000       1.315500    
 C   -2.833100       3.750300       1.004900    
 C   -3.714900       1.128300      -3.568500    
 C    3.152000      0.6151000      6.1099999E-02
 C    3.835000     -0.1885000     -0.8512000    
 C    3.834200       1.190100       1.132900    
 C  -0.6353000      -4.586100      0.7411000    
 C    5.201700     -0.4175000     -0.6916000    
 C    5.884600      0.1572000      0.3802000    
 C    5.200900      0.9609000       1.292400    
 H   -5.828400       1.397900       1.215900    
 H   -4.789100      8.5800000E-02   1.725100    
 H   -4.461300       2.564900      -1.481700    
 H   -5.939100       1.668200      -1.360700    
 H   -3.268900      -1.406800      0.1506000    
 H   -5.777000      -1.380300     -8.3099999E-02
 H   -6.863100     -8.5500002E-02 -0.5504000    
 H  -3.5700001E-02   2.347500      0.1742000    
 H   -4.871900     -0.3102000      -2.595200    
 H   0.2863000      -2.300100      0.6229000    
 H   -3.179300       4.743500      0.7061000    
 H   -3.637100       3.251000       1.554500    
 H   -1.954500       3.864900       1.647600    
 H   -3.488300      0.4697000      -4.399800    
 H   -3.303100       2.131300      -3.586100    
 H   7.3899999E-02  -4.685900     -8.5400000E-02
 H   -1.267900      -5.477300      0.7763000    
 H  -8.8200003E-02  -4.502300       1.684400    
 H    5.738600      -1.043600      -1.400400    
 H    5.717800       1.416800       2.134100    


%chk=000050257-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050257

0 1
Br 2.656830 -0.842486 2.873597
O -2.660473 2.884442 -0.571159
O -2.933901 -3.388137 1.475626
O 4.365856 1.671816 -2.977339
O 2.424511 0.523595 -2.618602
O 8.216996 0.425085 -0.276450
O 7.893279 -0.368752 1.844181
N -4.586350 0.893065 0.090168
N -0.928665 -2.245530 1.059530
N 0.897191 -0.455312 0.299928
N 1.817760 0.394159 -0.093076
N 3.594886 0.928300 -2.250111
N -8.024700 -2.361664 1.481633
N 7.458025 0.041946 0.696893
C -3.217925 0.619917 0.131835
C -5.531996 0.061900 0.862463
C -5.206467 1.823894 -0.905798
C -2.204325 1.600714 -0.244492
C -2.771634 -0.651575 0.597106
C -1.408855 -0.989821 0.645244
C -0.423512 -0.024559 0.230244
C -6.122924 -1.149744 0.063217
C -0.852555 1.263636 -0.203083
C -5.006138 1.372331 -2.343743
C -1.665270 -3.369055 1.441994
C -7.170700 -1.833336 0.837421
C -1.651937 3.888089 -0.936306
C -4.518117 2.166334 -3.326676
C 3.166301 0.128063 0.108799
C 4.097834 0.517886 -0.921408
C 3.760711 -0.310876 1.345723
C -0.827653 -4.588205 1.804249
C 5.488483 0.513931 -0.746001
C 5.998432 0.076659 0.487931
C 5.145515 -0.338232 1.538596
H -6.367972 0.711604 1.179280
H -5.042392 -0.306236 1.778381
H -4.807019 2.839449 -0.772239
H -6.287689 1.845456 -0.670044
H -3.477870 -1.426288 0.890756
H -5.328196 -1.874634 -0.190058
H -6.566240 -0.795454 -0.886143
H -0.071517 1.972574 -0.488004
H -5.299540 0.337655 -2.576774
H 0.099217 -2.303322 1.030680
H -2.222993 4.803772 -1.147508
H -0.952667 4.067655 -0.097986
H -1.088811 3.575742 -1.835531
H -4.421168 1.810036 -4.357944
H -4.199776 3.196212 -3.123861
H -0.971761 -5.368566 1.035713
H -1.191854 -5.001357 2.759413
H 0.250590 -4.371941 1.891057
H 6.154182 0.830266 -1.552300
H 5.588767 -0.671895 2.480175


