%chk=000178884.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178884

0 1
 Br  -4.994800     -0.4187000       2.144800    
 O  -0.9722000      -3.025700      9.6100003E-02
 O    4.253600     -0.5764000      0.2870000    
 O    1.029800      -3.552000     -0.8893000    
 O    3.324500      -2.649200     -2.3800001E-02
 N   0.5522000      0.8504000      1.4400000E-02
 N    1.863300      0.5805000      0.1343000    
 C  -0.2266000     -0.2551000     -0.1819000    
 C   0.6422000      -1.322500     -0.1909000    
 C   0.1135000       2.173100      9.6600004E-02
 C   -1.660300     -0.2185000     -0.3379000    
 C    1.912000     -0.7484000      8.1000002E-03
 C   0.9513000       3.199400     -0.3188000    
 C   -1.154700       2.443500      0.5927000    
 C   0.5125000       4.520900     -0.2365000    
 C   0.2877000      -2.700500     -0.3674000    
 C   -2.487100     -0.3188000      0.7811000    
 C   -2.219800     -8.2599998E-02  -1.608500    
 C    3.179600      -1.419400      8.2599998E-02
 C   -1.593500       3.765100      0.6749000    
 C  -0.7599000       4.803700      0.2604000    
 C   -3.873300     -0.2831000      0.6295000    
 C   -3.605900     -4.6900000E-02  -1.760100    
 C    1.403500       5.632000     -0.6792000    
 C   -4.432600     -0.1471000     -0.6411000    
 C   -1.390800      -4.387500     -4.9199998E-02
 C    5.549200      -1.180600      0.3717000    
 C   -2.787500      -4.536900      0.5149000    
 C    6.584100     -9.8499998E-02  0.5954000    
 H    1.941200       2.997900     -0.7214000    
 H   -1.785300       1.753100       1.111500    
 H   -2.053100     -0.4464000       1.771700    
 H   -1.589200     -3.1000001E-03  -2.490900    
 H   -2.567100       3.990200       1.101100    
 H   -1.111000       5.829400      0.3370000    
 H   -4.041300      5.9099998E-02  -2.749400    
 H    1.306600       5.783500      -1.758800    
 H    1.153500       6.569900     -0.1718000    
 H    2.450700       5.411200     -0.4461000    
 H   -5.510600     -0.1175000     -0.7767000    
 H  -0.6988000      -5.040000      0.4941000    
 H   -1.388300      -4.656600      -1.111000    
 H    5.763800      -1.712500     -0.5616000    
 H    5.565900      -1.888900       1.207100    
 H   -3.486600      -3.876300     -8.7000001E-03
 H   -2.809500      -4.248100       1.571000    
 H   -3.139100      -5.568200      0.4224000    
 H    6.370300      0.4546000       1.515900    
 H    6.564800      0.6281000     -0.2235000    
 H    7.588200     -0.5260000      0.6651000    


%chk=000178884-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178884

0 1
Br -5.474729 -1.913790 0.713504
O -0.821230 -3.193324 0.481465
O 4.157572 -0.704611 0.175503
O 0.821154 -3.357466 -1.165608
O 3.050411 -2.614183 0.939231
N 0.387580 0.989421 0.104418
N 1.728462 0.675615 0.304922
C -0.407622 -0.150952 -0.099430
C 0.475364 -1.247700 -0.011933
C -0.000180 2.374731 0.204467
C -1.831859 -0.092315 -0.500178
C 1.774863 -0.685718 0.221299
C 0.885241 3.355719 -0.295317
C -1.210737 2.741006 0.836688
C 0.563658 4.730316 -0.191416
C 0.207179 -2.678760 -0.311292
C -2.799390 -0.881071 0.177769
C -2.240486 0.736758 -1.580026
C 3.022838 -1.444444 0.484401
C -1.535480 4.109777 0.935181
C -0.660373 5.095690 0.427130
C -4.143403 -0.819114 -0.234158
C -3.593420 0.779227 -1.971738
C 1.503896 5.784732 -0.748398
C -4.565481 0.000417 -1.299964
C -1.142727 -4.640915 0.258515
C 5.461900 -1.381410 0.460199
C -2.239116 -5.009290 1.252078
C 6.557446 -0.410195 0.035104
H 1.829394 3.033703 -0.745438
H -1.873543 1.980691 1.258040
H -2.488363 -1.527751 1.000698
H -1.497795 1.335797 -2.116343
H -2.467471 4.406827 1.427668
H -0.921924 6.156313 0.519680
H -3.900752 1.416136 -2.807461
H 1.335983 5.933439 -1.832687
H 1.354012 6.760465 -0.254836
H 2.560630 5.492798 -0.618357
H -5.615989 0.031043 -1.602310
H -0.214423 -5.219487 0.411703
H -1.459553 -4.765403 -0.792684
H 5.489002 -2.330710 -0.104690
H 5.499456 -1.621065 1.538579
H -3.149731 -4.408500 1.083300
H -1.899327 -4.850148 2.289817
H -2.502852 -6.076192 1.133850
H 6.484817 0.535269 0.598994
H 6.482622 -0.180146 -1.041296
H 7.549573 -0.857630 0.228256


