%chk=000063591.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063591

0 1
 Br   2.722500       3.645400     -0.9581000    
 Br   6.701400      5.7100002E-02  0.8734000    
 O    1.977500      -2.580000      0.5748000    
 N   -2.209000       1.049700     -0.2079000    
 N   0.3245000      -1.115200     -0.2442000    
 N   0.9267000       1.131800     -0.7435000    
 C   -4.514300       1.794300      0.3353000    
 C   -3.553000       1.290100     -0.7543000    
 C   -3.956400       3.054900       1.005000    
 C   -2.531300       2.815000       1.492100    
 C   -1.643500       2.276100      0.3704000    
 C   -1.323300      0.5169000      -1.243100    
 C   -5.901000       2.061800     -0.2470000    
 C   4.9899999E-02  0.1762000     -0.7008000    
 C    1.630700      -1.483300      0.1423000    
 C    2.240500      0.8608000     -0.3486000    
 C    2.642200     -0.4083000      6.8099998E-02
 C  -0.7030000      -2.110100     -0.1027000    
 C    3.188500       1.889700     -0.3969000    
 C    3.971300     -0.6529000      0.4337000    
 C   -1.415800      -2.195800       1.086700    
 C  -0.9719000      -2.973900      -1.157100    
 C    4.514700       1.651600     -3.3399999E-02
 C    4.905600      0.3805000      0.3805000    
 C   -2.413400      -3.161000       1.224100    
 C   -1.969700      -3.939000      -1.019700    
 C   -2.690400      -4.032500      0.1710000    
 H   -4.615100       1.011300       1.099500    
 H   -3.953400      0.3526000      -1.161000    
 H   -3.510800       2.011000      -1.582300    
 H   -4.590400       3.349500       1.849400    
 H   -3.959800       3.891200      0.2942000    
 H   -2.112000       3.750700       1.879300    
 H   -2.545600       2.101800       2.326300    
 H   -1.502800       3.049200     -0.3962000    
 H  -0.6738000       2.087300      0.8398000    
 H   -1.770400     -0.3705000      -1.700200    
 H   -1.198800       1.246300      -2.055800    
 H   -5.866000       2.835700      -1.021200    
 H   -6.315300       1.152800     -0.6955000    
 H   -6.592100       2.395200      0.5344000    
 H    4.280100      -1.642600      0.7611000    
 H   -1.207500      -1.520200       1.912000    
 H  -0.4157000      -2.907900      -2.088200    
 H    5.245400       2.456700     -7.3899999E-02
 H   -2.975000      -3.233200       2.151000    
 H   -2.185600      -4.617500      -1.839800    
 H   -3.467400      -4.783800      0.2779000    


%chk=000063591-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063591

0 1
Br 3.252302 3.535564 -1.283268
Br 6.731723 -0.287136 1.309466
O 1.675548 -2.575074 0.719572
N -2.060010 1.262418 -0.292382
N 0.306396 -0.954549 -0.305966
N 1.159442 1.205320 -0.948991
C -4.378131 1.493156 0.626426
C -3.507787 1.130667 -0.598870
C -4.024726 2.918885 1.117592
C -2.506544 3.059847 1.370216
C -1.702811 2.645420 0.123071
C -1.197031 0.755821 -1.392009
C -5.878267 1.353089 0.294393
C 0.164777 0.330974 -0.867941
C 1.558908 -1.416789 0.233201
C 2.411580 0.854519 -0.437861
C 2.655367 -0.425824 0.157573
C -0.811880 -1.894461 -0.251640
C 3.505021 1.773425 -0.490419
C 3.926016 -0.778048 0.676315
C -1.801131 -1.750074 0.744096
C -0.858333 -2.961049 -1.176175
C 4.768709 1.439012 0.020518
C 4.962425 0.158739 0.601494
C -2.862627 -2.680723 0.800693
C -1.923004 -3.886832 -1.112929
C -2.926757 -3.747289 -0.125872
H -4.117601 0.777316 1.434218
H -3.705006 0.082896 -0.895538
H -3.806350 1.788112 -1.458483
H -4.595469 3.155790 2.036369
H -4.339961 3.652420 0.344865
H -2.251932 4.103549 1.636618
H -2.207077 2.417156 2.221020
H -1.908527 3.368433 -0.709586
H -0.618362 2.686672 0.323361
H -1.701945 -0.105423 -1.863160
H -1.011354 1.524795 -2.175081
H -6.171472 2.049455 -0.514928
H -6.127130 0.326559 -0.035083
H -6.501576 1.585236 1.177756
H 4.055647 -1.769802 1.118077
H -1.745223 -0.908664 1.439458
H -0.063893 -3.071605 -1.921557
H 5.591330 2.156425 -0.028965
H -3.633733 -2.575227 1.571508
H -1.962736 -4.717905 -1.825061
H -3.748806 -4.469695 -0.075209


