%chk=000131096.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131096

0 1
 Br   5.780500      0.4374000      -1.759200    
 Br   1.987200       2.403000       2.012300    
 Br  -2.102200     -0.1355000       2.678900    
 Br  -3.517200      8.5000005E-03  -2.886300    
 O    2.752600      -2.174100      0.4970000    
 O    2.502400     -0.1351000      -2.511600    
 O    4.706300       2.111700      0.6412000    
 O  -0.4785000      -4.762300     -0.6152000    
 O   -2.785500      -1.221300     -0.1402000    
 N    1.763900      -3.135500      0.8290000    
 N   -1.432900      -3.238700      0.8909000    
 N   -1.566800       6.498300     -0.2237000    
 C    2.140300      -1.143100     -0.3207000    
 C   0.9329000      -1.832700     -0.9521000    
 C    3.179100     -0.6893000      -1.380500    
 C    1.744200     -1.7899999E-02  0.6153000    
 C   0.7752000      -2.919400      3.3599999E-02
 C    4.140600      0.3552000     -0.8597000    
 C    2.528300       1.053400      0.8304000    
 C    3.824100       1.156900      0.1732000    
 C  -0.4495000      -3.744200      6.6299997E-02
 C   -2.715000      -3.877400       1.079600    
 C   -3.758000      -3.399300      7.8199998E-02
 C   -4.001900      -1.896700      0.1512000    
 C    5.526900       1.577100       1.660700    
 C   -2.813500      0.1482000     -9.7400002E-02
 C   -2.869000       2.936100     -1.1200000E-02
 C   -2.898300       4.426400      3.4699999E-02
 C   -2.529500      0.8149000       1.094400    
 C   -3.125200      0.8755000      -1.246100    
 C   -2.557300       2.208800       1.137600    
 C   -3.152900       2.269300      -1.203100    
 C   -1.531400       5.041600     -0.2974000    
 H    1.154000      -2.291200      -1.921500    
 H   4.4399999E-02  -1.202600      -1.032000    
 H    3.730800      -1.575100      -1.721400    
 H   0.8001000     -0.1152000       1.144400    
 H    3.175000      8.6199999E-02  -3.178400    
 H   -1.259000      -2.371100       1.390500    
 H   -2.586800      -4.961500      0.9885000    
 H   -3.038400      -3.660000       2.103000    
 H   -3.419700      -3.654600     -0.9339000    
 H   -4.700500      -3.929300      0.2549000    
 H   -4.773600      -1.620500     -0.5756000    
 H   -4.364200      -1.625200       1.149300    
 H    6.206300       2.366700       1.996300    
 H    6.139000      0.7431000       1.301900    
 H    4.939700       1.254300       2.527300    
 H   -3.658200       4.802700     -0.6633000    
 H   -3.225300       4.757800       1.029500    
 H   -2.333900       2.733900       2.063600    
 H   -3.393100       2.841700      -2.096300    
 H  -0.7725000       4.672700      0.4020000    
 H   -1.216000       4.740600      -1.303400    
 H  -0.6624000       6.873100     -0.5068000    
 H   -2.247400       6.858100     -0.8916000    


%chk=000131096-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131096

0 1
Br 5.916387 -0.283440 2.212354
Br 5.915855 -0.001847 -3.600473
Br -3.083736 -0.246585 2.933365
Br -4.106100 1.258341 -2.601007
O 2.096443 -0.559284 -0.493846
O 4.602125 -3.112796 0.575566
O 6.743858 0.679706 -0.661986
O -0.175456 -4.617430 -0.624829
O -3.316061 -0.584503 -0.176489
N 0.803485 -1.164442 -0.298728
N -1.499225 -2.749295 -0.106690
N -3.423316 7.071222 1.849800
C 3.142225 -1.709257 -0.780534
C 2.252941 -2.966520 -0.921452
C 4.031348 -1.747960 0.496075
C 3.866569 -1.295664 -2.029371
C 0.881520 -2.461830 -0.519299
C 5.125572 -0.707205 0.476164
C 5.001217 -0.547020 -1.958473
C 5.626252 -0.153583 -0.671129
C -0.310941 -3.365431 -0.418095
C -2.762418 -3.491900 0.001057
C -3.887809 -2.860835 -0.852074
C -4.451374 -1.558211 -0.281017
C 6.460315 2.132119 -0.783396
C -3.661801 0.708771 0.235600
C -4.217329 3.400354 1.067275
C -4.452572 4.836854 1.499516
C -3.589688 1.094044 1.599690
C -4.017869 1.714890 -0.700071
C -3.857605 2.411011 2.016883
C -4.293046 3.035989 -0.301025
C -3.164371 5.701089 1.380740
H 2.596982 -3.788331 -0.274296
H 2.229972 -3.358677 -1.953465
H 3.368302 -1.570549 1.366662
H 3.427052 -1.574791 -2.990685
H 5.229162 -3.146593 1.343700
H -1.537564 -1.728385 0.003269
H -2.555247 -4.523768 -0.331088
H -3.083274 -3.538520 1.062453
H -3.518375 -2.687601 -1.879365
H -4.728317 -3.579999 -0.917493
H -5.224048 -1.128504 -0.946617
H -4.873785 -1.705683 0.733058
H 7.448314 2.613715 -0.809586
H 5.887049 2.478562 0.095879
H 5.906194 2.352913 -1.713746
H -5.244185 5.297090 0.875686
H -4.793472 4.888498 2.548611
H -3.789402 2.671223 3.077651
H -4.569026 3.783571 -1.051215
H -2.379523 5.258183 2.021967
H -2.791269 5.636151 0.329830
H -2.590787 7.608063 2.104463
H -4.071949 7.608478 1.267327


