%chk=000053079.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053079

0 1
 Br   2.233000       2.649100      0.2043000    
 O   0.4430000      0.6648000      -1.163300    
 N   0.3059000     -0.7694000      0.6496000    
 C    3.485300     -8.8000000E-03 -4.4900000E-02
 C  -0.9408000      -1.385500      0.2625000    
 C    2.218300      0.7087000      0.4930000    
 C    3.424500      -1.502500      0.3491000    
 C    4.756600      0.5801000      0.6059000    
 C    3.637800      7.1199998E-02  -1.576000    
 C   0.9046000      0.2243000     -0.1122000    
 C   -2.074300     -0.3597000      0.1303000    
 C   -1.293400      -2.431400       1.336400    
 C  -0.7075000      -2.096200      -1.083600    
 C   -2.032800      0.7662000      0.9167000    
 C   -3.082400     -0.6101000     -0.7690000    
 C   -3.062900       1.699000      0.7966000    
 C   -4.112500      0.3228000     -0.8891000    
 C   -4.102700       1.477300     -0.1063000    
 H    2.168600      0.6190000       1.585100    
 H   0.7614000      -1.080100       1.503300    
 H    4.352900      -2.020200      8.0100000E-02
 H    2.610700      -2.025400     -0.1632000    
 H    3.282100      -1.622700       1.428900    
 H    4.956000       1.603900      0.2744000    
 H    4.674900      0.5855000       1.698800    
 H    5.642300     -1.2000000E-02  0.3460000    
 H    4.542200     -0.4529000      -1.907100    
 H    2.789900     -0.3930000      -2.090500    
 H    3.718400       1.105600      -1.924600    
 H  -0.5010000      -3.183000       1.434500    
 H   -1.424500      -1.964600       2.320300    
 H   -2.225300      -2.955700       1.095400    
 H   0.2290000      -2.668900      -1.059400    
 H  -0.6367000      -1.410600      -1.935200    
 H   -1.493400      -2.826500      -1.309500    
 H   -1.252100      0.9533000       1.646500    
 H   -3.145300      -1.503400      -1.378000    
 H   -3.058900       2.595000       1.410400    
 H   -4.925800      0.1479000      -1.587400    
 H   -4.906100       2.202300     -0.1979000    


%chk=000053079-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053079

0 1
Br 2.077146 1.361907 2.037709
O 0.847318 -0.613376 -1.126167
N 0.173360 -1.091991 1.050100
C 3.606386 0.108941 -0.258070
C -1.204185 -1.575769 0.725976
C 2.452126 -0.221310 0.724712
C 3.855433 -1.182031 -1.106113
C 4.900320 0.410327 0.546587
C 3.279691 1.299227 -1.194578
C 1.084247 -0.636125 0.118961
C -2.043385 -0.445445 0.078670
C -1.855747 -1.951517 2.087696
C -1.095027 -2.841174 -0.163949
C -1.872577 0.896197 0.506762
C -3.055770 -0.724106 -0.872361
C -2.685908 1.930074 -0.003514
C -3.873709 0.308980 -1.384227
C -3.694857 1.641497 -0.951241
H 2.790569 -0.996488 1.438195
H 0.413979 -0.997985 2.040392
H 4.750457 -1.024903 -1.735355
H 2.995867 -1.397619 -1.759214
H 4.049246 -2.062095 -0.461988
H 4.801546 1.333625 1.142683
H 5.154151 -0.419996 1.234029
H 5.745121 0.541789 -0.153612
H 4.133206 1.476282 -1.875111
H 2.382379 1.089467 -1.797973
H 3.109417 2.223357 -0.613522
H -1.290095 -2.762722 2.584123
H -1.902449 -1.075743 2.761194
H -2.888654 -2.300035 1.923177
H -0.431774 -3.576270 0.325368
H -0.677777 -2.585944 -1.150829
H -2.082142 -3.316755 -0.298053
H -1.082572 1.140963 1.226570
H -3.206502 -1.745935 -1.234493
H -2.527851 2.960813 0.333731
H -4.645975 0.071887 -2.125045
H -4.326009 2.443402 -1.350322


