%chk=000011780.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011780

0 1
 Br   5.232500     -0.3598000      0.2148000    
 O   -1.220600       2.551200      2.5599999E-02
 N  -0.8333000      0.2086000     -0.1563000    
 N   -1.719300     -0.8793000     -8.5199997E-02
 C   -2.970800     -0.3629000      0.2367000    
 C   0.5748000      7.6700002E-02 -7.0100002E-02
 C   -1.573600       1.383200      1.1700000E-02
 C   -2.972400      0.9748000      0.2978000    
 C   -1.581500      -1.956000      -1.060400    
 C   -4.161900      -1.236700      0.4250000    
 C    1.405000       1.147700     -0.4146000    
 C    1.144600      -1.125800      0.3600000    
 C    2.791300       1.017900     -0.3299000    
 C    2.530900      -1.255800      0.4449000    
 C    3.354300     -0.1839000      0.1000000    
 H   -3.788800       1.644400      0.5037000    
 H  -0.5459000      -2.169400      -1.335100    
 H   -2.111200      -1.701700      -1.986000    
 H   -2.011500      -2.880900     -0.6615000    
 H   -3.970500      -1.978500       1.207000    
 H   -4.409600      -1.764000     -0.5016000    
 H   -5.041800     -0.6572000      0.7240000    
 H    1.007000       2.088900     -0.7799000    
 H   0.5392000      -1.970800      0.6750000    
 H    3.419300       1.860300     -0.6082000    
 H    2.953700      -2.195900      0.7896000    


%chk=000011780-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000011780

0 1
Br 5.302224 -0.382308 0.143803
O -1.068414 2.602306 0.259976
N -0.860550 0.245315 -0.166597
N -1.731563 -0.888978 -0.068997
C -3.010879 -0.385577 0.249834
C 0.551396 0.081589 -0.087295
C -1.593533 1.454266 0.187406
C -2.950546 0.981704 0.443780
C -1.562395 -1.941912 -1.098146
C -4.196193 -1.305794 0.319512
C 1.389936 1.109047 -0.593559
C 1.127181 -1.069996 0.510793
C 2.791560 0.976432 -0.512722
C 2.529603 -1.211329 0.574037
C 3.348717 -0.186797 0.058041
H -3.762061 1.631636 0.759550
H -0.518148 -2.288587 -1.110979
H -1.829874 -1.573769 -2.108305
H -2.208185 -2.793709 -0.833399
H -3.996524 -2.175947 0.971107
H -4.485446 -1.689016 -0.677555
H -5.061124 -0.761456 0.729554
H 0.942863 2.008052 -1.022251
H 0.483789 -1.832097 0.961670
H 3.436685 1.770870 -0.898155
H 2.971379 -2.098845 1.035898


