%chk=000059581.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059581

0 1
 Br   1.657400       1.445500      -1.242100    
 O   -1.874000       1.315800      0.7086000    
 N  -0.4931000     -0.4878000      0.2154000    
 C   0.6540000     -2.8200001E-02  0.9944000    
 C  -0.3092000      -1.757600     -0.4755000    
 C   -1.681900      0.2386000      0.1382000    
 C    1.842700      0.1525000      0.1009000    
 C   -2.784100     -0.3554000     -0.7028000    
 C    2.988100     -0.5236000      0.2628000    
 H   0.4162000      0.9145000       1.499600    
 H   0.8389000     -0.7714000       1.779200    
 H   -1.252600      -2.285500     -0.6256000    
 H   0.3410000      -2.412800      0.1130000    
 H   0.1440000      -1.568800      -1.452900    
 H   -3.594000      0.3740000     -0.8038000    
 H   -2.421500     -0.5925000      -1.706400    
 H   -3.187200      -1.248000     -0.2174000    
 H    3.842600     -0.3634000     -0.3865000    
 H    3.097600      -1.259400       1.052800    


%chk=000059581-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059581

0 1
Br 1.704190 1.320758 -1.454833
O -1.774136 1.288108 0.830093
N -0.514300 -0.552942 0.166820
C 0.641392 -0.041327 0.926099
C -0.331364 -1.824510 -0.549290
C -1.690160 0.205967 0.169240
C 1.903483 0.116627 0.103755
C -2.867700 -0.316695 -0.650618
C 3.105438 -0.443759 0.363907
H 0.321468 0.931163 1.345869
H 0.877438 -0.725692 1.767685
H -1.300230 -2.239546 -0.861101
H 0.159562 -2.561844 0.113945
H 0.303091 -1.696699 -1.447400
H -3.668053 0.434926 -0.591794
H -2.596953 -0.469554 -1.710636
H -3.254897 -1.272740 -0.252250
H 3.994336 -0.246329 -0.239615
H 3.212295 -1.119411 1.222026


