%chk=000063769.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063769

0 1
 Br  -5.361000       1.953500     -0.1664000    
 O   5.8100000E-02   1.937700     -0.2183000    
 N   0.8261000     -0.2814000     -3.1900000E-02
 N  -0.7687000      -2.035400      0.1696000    
 N    2.445600       1.349000      0.5292000    
 N    3.098600     -0.7187000     -0.5222000    
 C   -1.554600      0.2669000     -6.5399997E-02
 C   -1.801700      -1.094800      0.1082000    
 C   0.4590000      -1.624400      8.2599998E-02
 C  -0.1526000      0.7300000     -0.1335000    
 C   -2.612300       1.180300     -0.1477000    
 C    2.200000      0.1398000     -6.8999999E-03
 C   -3.126800      -1.536800      0.1988000    
 C    1.516500      -2.709000      5.0500002E-02
 C   -3.927400      0.7269000     -5.6600001E-02
 C   -4.185200     -0.6307000      0.1177000    
 C    3.744900       1.712600      0.5362000    
 C    4.377700     -0.2916000     -0.4829000    
 C    4.763800      0.9261000      3.9099999E-02
 H   -2.415900       2.241400     -0.2799000    
 H   -3.342800      -2.594600      0.3299000    
 H    2.276000      -2.545500      0.8191000    
 H    1.958700      -2.783600     -0.9465000    
 H    1.051600      -3.677900      0.2662000    
 H   -5.204300      -1.001800      0.1907000    
 H    3.951200       2.686700      0.9668000    
 H    5.108400     -0.9785000     -0.8964000    
 H    5.797700       1.243100      5.7599999E-02


%chk=000063769-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063769

0 1
Br -5.397614 1.994037 -0.548761
O 0.226711 1.883498 -0.469938
N 0.802077 -0.333562 0.042108
N -0.819465 -2.075349 0.360230
N 2.672537 0.696574 1.104103
N 2.863329 -0.190294 -1.157683
C -1.553549 0.250896 -0.128852
C -1.835084 -1.124517 0.148416
C 0.440391 -1.675197 0.303440
C -0.155079 0.709886 -0.205630
C -2.604550 1.180393 -0.337918
C 2.192121 0.073402 -0.004851
C -3.191449 -1.548378 0.212079
C 1.553970 -2.665921 0.526353
C -3.927160 0.727628 -0.266157
C -4.235247 -0.632013 0.007168
C 3.959768 1.145614 1.021487
C 4.152100 0.262064 -1.211395
C 4.745862 0.963970 -0.138948
H -2.349918 2.222763 -0.549552
H -3.396362 -2.601490 0.424137
H 2.208614 -2.355867 1.361617
H 2.182511 -2.764103 -0.376892
H 1.103554 -3.639781 0.763197
H -5.277700 -0.959278 0.056602
H 4.350788 1.654041 1.908971
H 4.698679 0.051608 -2.136571
H 5.770767 1.338677 -0.199161


