%chk=000096556.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096556

0 1
 Br   4.610600       1.462000       1.034000    
 O   0.9385000      -1.565100     -1.8600000E-02
 N    2.230100      0.2157000     -0.7288000    
 N  -4.4000000E-02  0.5285000     -0.4463000    
 C    3.492800     -0.4866000     -0.7372000    
 C   -1.394500      0.3169000     -0.1670000    
 C    1.023100     -0.3886000     -0.3625000    
 C   -2.308700       1.360200     -0.3121000    
 C   -1.830400     -0.9385000      0.2565000    
 C    4.217100     -0.3949000      0.5909000    
 C   -3.659000       1.148200     -3.3700000E-02
 C   -3.180700      -1.150700      0.5349000    
 C   -4.095000     -0.1072000      0.3898000    
 H    3.314000      -1.537800     -0.9875000    
 H    4.095100     -4.8400000E-02  -1.540500    
 H    2.225100       1.196900     -0.9893000    
 H   0.2000000       1.468000     -0.7502000    
 H   -1.983100       2.343700     -0.6415000    
 H   -1.184800      -1.794500      0.3926000    
 H    5.176100     -0.9186000      0.5604000    
 H    3.614500     -0.7844000       1.416300    
 H   -4.371000       1.960600     -0.1467000    
 H   -3.521500      -2.127800      0.8647000    
 H   -5.146300     -0.2724000      0.6066000    


%chk=000096556-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096556

0 1
Br 5.081050 1.650401 0.490666
O 0.905939 -1.621258 -0.143227
N 2.249295 0.224661 -0.641021
N -0.058281 0.526791 -0.382998
C 3.479480 -0.564570 -0.639707
C -1.435159 0.256921 -0.140902
C 1.013754 -0.377116 -0.369138
C -2.331798 1.358984 -0.206720
C -1.937101 -1.038549 0.156958
C 4.393816 -0.273495 0.553584
C -3.709867 1.171831 0.021389
C -3.320302 -1.207097 0.383623
C -4.215686 -0.115020 0.319205
H 3.167061 -1.625780 -0.582515
H 4.034459 -0.417807 -1.584946
H 2.339580 1.236146 -0.752455
H 0.155953 1.502823 -0.599050
H -1.949165 2.362753 -0.436060
H -1.245700 -1.881406 0.204742
H 5.304457 -0.891475 0.540550
H 3.868433 -0.352651 1.516420
H -4.386744 2.031728 -0.033483
H -3.699301 -2.209595 0.612928
H -5.286172 -0.262018 0.496955


