%chk=000116242.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116242

0 1
 Br  -3.613700      -1.825600      0.8687000    
 O  -0.6957000       2.052300      0.1715000    
 N    2.418200      -1.559200     -0.3262000    
 N   -1.439500     -2.3000001E-03 -0.6406000    
 C   0.8466000      0.2961000     -6.5499999E-02
 C    1.030700      -1.142600     -0.4850000    
 C  -0.4910000      0.8841000     -0.1594000    
 C   -2.830500      0.3477000     -0.8188000    
 C    1.844600       1.073000      0.3914000    
 C    3.185700      0.5390000      0.5025000    
 C    3.406900     -0.7328000      0.1439000    
 C   -3.662200      7.0100002E-02  0.4174000    
 H   0.4142000      -1.806600      0.1309000    
 H   0.7644000      -1.275100      -1.539300    
 H   -2.897600       1.410400      -1.075500    
 H   -3.198800     -0.2287000      -1.674500    
 H    1.708700       2.106400      0.6918000    
 H    2.679800      -2.507400     -0.5740000    
 H   -1.208300     -0.9563000     -0.8866000    
 H    3.979600       1.176400      0.8718000    
 H    4.383600      -1.196400      0.2010000    
 H   -4.712700      0.3268000      0.2587000    
 H   -3.284900      0.6023000       1.295300    


%chk=000116242-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116242

0 1
Br -3.983897 -2.102690 0.199773
O -0.699991 2.138264 0.013997
N 2.477791 -1.615265 -0.075883
N -1.497141 0.036058 -0.585569
C 0.895492 0.304493 -0.132449
C 1.099740 -1.186718 -0.429748
C -0.458231 0.903727 -0.216800
C -2.878736 0.504288 -0.676942
C 1.964727 1.121706 0.174349
C 3.313491 0.620985 0.300380
C 3.511500 -0.744319 0.194932
C -3.792939 -0.073966 0.404618
H 0.382747 -1.806338 0.155544
H 0.902412 -1.403691 -1.507997
H -2.835127 1.603818 -0.540241
H -3.298804 0.294336 -1.678696
H 1.745667 2.182286 0.344631
H 2.671843 -2.615346 -0.107151
H -1.323669 -0.955650 -0.752321
H 4.151048 1.283520 0.522502
H 4.491743 -1.207372 0.348282
H -4.823697 0.304128 0.326922
H -3.387871 0.065348 1.417367


