%chk=000063588.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063588

0 1
 Br  -4.117100     -0.8973000      -2.929800    
 Br  -5.567100     -0.8695000       2.543700    
 O  -0.7224000       1.497600       2.009900    
 N  -0.1334000       1.548000     -0.2704000    
 N    3.254600     -0.8714000     -0.1485000    
 N   -1.623100      0.5957000      -1.862400    
 N    1.136600     -0.8262000      0.5241000    
 C    1.146400       2.135000      1.8300001E-02
 C    2.264000       1.341400      0.2539000    
 C    2.188300     -0.1022000      0.2204000    
 C  -0.5237000       1.220600      -1.571100    
 C  -0.9739000       1.270900      0.8286000    
 C   -2.242200      0.5858000      0.5018000    
 C   -2.500800      0.2555000     -0.8284000    
 C    2.864700      -2.184200     -7.8400001E-02
 C    1.243000       3.522200      5.7000000E-02
 C    3.492200       1.941500      0.5313000    
 C    1.539200      -2.129500      0.3437000    
 C    2.471300       4.122300      0.3344000    
 C   0.3240000       1.648500      -2.751800    
 C   -3.153300      0.2523000       1.511100    
 C    3.595900       3.331900      0.5716000    
 C   -3.688500     -0.4160000      -1.141100    
 C    3.537100      -3.378600     -0.3401000    
 C   0.8269000      -3.327700      0.5208000    
 C   -4.333000     -0.4158000       1.185900    
 C   -4.600400     -0.7510000     -0.1393000    
 C    2.812800      -4.561400     -0.1590000    
 C    1.481800      -4.538700      0.2638000    
 H   0.3733000       4.147500     -0.1263000    
 H    4.167200     -0.5475000     -0.4409000    
 H    4.386800       1.359400      0.7373000    
 H    1.318000       1.199400      -2.678700    
 H   0.4250000       2.737200      -2.758500    
 H  -0.1345000       1.331800      -3.693200    
 H    2.551800       5.204900      0.3665000    
 H   -2.946800      0.5083000       2.547300    
 H    4.551200       3.799600      0.7914000    
 H    4.570200      -3.393600     -0.6681000    
 H  -0.2079000      -3.320000      0.8483000    
 H   -5.521400      -1.272800     -0.3908000    
 H    3.295900      -5.516200     -0.3511000    
 H   0.9449000      -5.474600      0.3956000    


%chk=000063588-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063588

0 1
Br -4.715436 -0.409110 -2.625327
Br -5.244767 -1.050259 3.097890
O -0.281502 1.280075 1.995956
N -0.173537 1.544951 -0.336315
N 3.080705 -0.918335 0.760060
N -1.916865 0.776815 -1.801300
N 1.452873 -0.856895 -0.840272
C 1.137058 2.155643 -0.169791
C 2.298311 1.353710 0.013384
C 2.242845 -0.115501 -0.034208
C -0.719899 1.314271 -1.617580
C -0.829541 1.123251 0.867308
C -2.161668 0.524585 0.650841
C -2.660323 0.385737 -0.686173
C 2.801314 -2.257277 0.456821
C 1.216276 3.561148 -0.115339
C 3.537184 2.011947 0.241996
C 1.781561 -2.198471 -0.556302
C 2.454937 4.199771 0.109345
C 0.113958 1.672359 -2.817778
C -2.911396 0.103019 1.777261
C 3.618540 3.418487 0.291048
C -3.959639 -0.190615 -0.842068
C 3.309319 -3.477569 0.947842
C 1.259836 -3.392284 -1.106399
C -4.175232 -0.457026 1.567385
C -4.715040 -0.609936 0.263956
C 2.773316 -4.656377 0.387506
C 1.766404 -4.614995 -0.623317
H 0.298398 4.147395 -0.228426
H 3.681244 -0.580329 1.510188
H 4.451367 1.415925 0.344369
H 1.015650 1.033676 -2.840425
H 0.440116 2.726747 -2.807781
H -0.485844 1.481405 -3.718640
H 2.508171 5.292382 0.149663
H -2.478390 0.230372 2.773086
H 4.585637 3.902697 0.462338
H 4.081039 -3.521083 1.723243
H 0.483903 -3.352570 -1.876625
H -5.705115 -1.049418 0.121153
H 3.137987 -5.628389 0.737197
H 1.379846 -5.556828 -1.026972


