%chk=000063596.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063596

0 1
 Br   3.976100      -2.493400     -0.9484000    
 Br   5.034100       3.026500     -0.2602000    
 O  -0.1665000       2.071100       1.003200    
 N  -0.5974000     -0.2118000      0.7156000    
 N   -4.290500      0.2484000      0.3441000    
 N    1.140900      -1.658200     -1.9800000E-02
 C   -1.998500     -0.1049000       1.119800    
 C   -2.897200      0.1741000     -7.5900003E-02
 C  -8.3999999E-02  -1.455800      0.3540000    
 C   -5.161600      0.5252000     -0.7898000    
 C   0.2033000      0.9404000      0.6995000    
 C    1.604000      0.7286000      0.2762000    
 C   -1.009600      -2.648300      0.3957000    
 C    2.012900     -0.5628000     -6.5899998E-02
 C   -4.777300       1.850800      -1.440800    
 C   -6.613300      0.5449000     -0.3219000    
 C    2.500200       1.801900      0.2201000    
 C  -0.2664000      -3.889700     -3.1300001E-02
 C    3.337900     -0.7681000     -0.4674000    
 C    3.817000       1.582300     -0.1816000    
 C    4.236000      0.2988000     -0.5252000    
 H   -2.326400     -0.9955000       1.661300    
 H   -2.085200      0.7253000       1.832900    
 H   -2.555100       1.121200     -0.5057000    
 H   -2.770600     -0.5934000     -0.8469000    
 H   -5.068900     -0.2747000      -1.535700    
 H   -4.563800     -0.6300000      0.7840000    
 H   -1.369300      -2.798100       1.418300    
 H   -1.867300      -2.492000     -0.2617000    
 H   -5.554100       2.165400      -2.147900    
 H   -4.670000       2.652800     -0.7014000    
 H   -3.851600       1.780200      -2.020600    
 H   -6.895800     -0.4132000      0.1286000    
 H   -7.290000      0.7253000      -1.164200    
 H   -6.785000       1.332200      0.4211000    
 H    2.176800       2.805000      0.4873000    
 H  -0.9366000      -4.755300      6.0000001E-03
 H   0.5818000      -4.107600      0.6273000    
 H   0.1052000      -3.810400      -1.059100    
 H    5.264300      0.1307000     -0.8381000    


%chk=000063596-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063596

0 1
Br 4.360239 -2.333098 -0.110669
Br 4.511891 3.379579 -1.006362
O -0.762778 1.855386 0.028868
N -0.736529 -0.460466 0.418689
N -4.428242 -0.219934 -0.517149
N 1.290659 -1.749985 0.287869
C -2.213390 -0.383626 0.608964
C -2.986380 -0.404622 -0.741786
C -0.018693 -1.672116 0.488619
C -5.026636 1.091908 -0.883832
C -0.093485 0.780418 0.108710
C 1.363960 0.691089 -0.098634
C -0.784482 -2.943377 0.824381
C 2.003740 -0.587927 -0.003615
C -4.464720 2.228214 -0.001708
C -6.558680 0.985170 -0.744664
C 2.090850 1.871623 -0.394276
C 0.086360 -4.211702 0.770850
C 3.416781 -0.631521 -0.220376
C 3.471007 1.773079 -0.595619
C 4.149823 0.528705 -0.512328
H -2.551391 -1.208707 1.251518
H -2.430638 0.567003 1.119005
H -2.573922 0.394714 -1.391083
H -2.794267 -1.369634 -1.253042
H -4.789038 1.344667 -1.948784
H -4.995830 -1.006707 -0.847682
H -1.224263 -2.837476 1.837736
H -1.643555 -3.044487 0.131643
H -4.909098 3.194860 -0.303278
H -4.714373 2.042164 1.059432
H -3.367449 2.320831 -0.093607
H -6.973045 0.193699 -1.399593
H -7.039741 1.939022 -1.023803
H -6.829068 0.748450 0.300557
H 1.550211 2.819863 -0.456114
H -0.526700 -5.096919 1.019036
H 0.925163 -4.144777 1.482188
H 0.525000 -4.349278 -0.231339
H 5.229208 0.473811 -0.673218


