%chk=000046380.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046380

0 1
 Br   3.938700      0.8375000     -1.9999999E-04
 O   -1.749500     -0.9863000     -3.0000001E-04
 N   -1.428800       1.257300       0.000000    
 N   -3.642300      0.3155000     -1.9999999E-04
 C  -0.2116000      0.6201000      9.9999997E-05
 C  -0.4040000     -0.7535000      9.9999997E-05
 C    1.098100       1.121000       0.000000    
 C   0.6169000      -1.696000      9.9999997E-05
 C   -2.290500      0.2642000      3.0000001E-04
 C    2.155700      0.2000000       0.000000    
 C    1.917300      -1.179900      9.9999997E-05
 H    1.276700       2.191700     -9.9999997E-05
 H   0.4217000      -2.761000       0.000000    
 H    2.750100      -1.880500      9.9999997E-05
 H   -4.210200     -0.5254000     -6.9999998E-04
 H   -4.144800       1.197000     -6.0000003E-04


%chk=000046380-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046380

0 1
Br 4.006378 0.877782 0.000145
O -1.800481 -1.044831 -0.000175
N -1.464235 1.270487 -0.000218
N -3.710973 0.346959 -0.000232
C -0.204709 0.610377 -0.000119
C -0.395923 -0.803866 -0.000079
C 1.102709 1.137022 -0.000057
C 0.643581 -1.733511 0.000009
C -2.349055 0.275609 -0.000195
C 2.158203 0.200099 0.000049
C 1.960496 -1.203297 0.000080
H 1.279742 2.214569 -0.000081
H 0.468146 -2.812193 0.000026
H 2.821052 -1.877271 0.000151
H -4.272158 -0.499418 -0.000296
H -4.149273 1.263183 -0.000309


