%chk=000045943.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045943

0 1
 Br  -3.481600      -1.514600     -8.9999998E-04
 O   -2.898100       1.547900      3.0000001E-04
 C   0.6666000      0.7038000     -9.9999997E-05
 C   0.6093000     -0.7103000      1.9999999E-04
 C  -0.5298000       1.439500       0.000000    
 C  -0.6424000      -1.347100      3.9999999E-04
 C    1.918300       1.340400     -3.0000001E-04
 C    1.805600      -1.446100      1.9999999E-04
 C   -1.764600      0.7902000      9.9999997E-05
 C   -1.820800     -0.6003000      3.9999999E-04
 C    3.096800      0.5936000     -3.0000001E-04
 C    3.040600     -0.7970000       0.000000    
 H  -0.4928000       2.527700     -1.9999999E-04
 H  -0.6907000      -2.435100      5.0000002E-04
 H    1.986500       2.426300     -3.9999999E-04
 H    1.785800      -2.534000      5.0000002E-04
 H    4.058500       1.098400     -5.0000002E-04
 H    3.958400      -1.377700     -9.9999997E-05
 H   -2.655000       2.489600      9.9999997E-05


%chk=000045943-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045943

0 1
Br -3.561365 -1.496277 0.000150
O -2.991957 1.512025 0.000103
C 0.691895 0.728307 -0.000078
C 0.628006 -0.721620 0.000084
C -0.528741 1.473003 -0.000094
C -0.656025 -1.357395 0.000148
C 1.977823 1.363120 -0.000210
C 1.845596 -1.477655 0.000136
C -1.774458 0.828959 0.000032
C -1.826613 -0.603202 0.000082
C 3.149130 0.599598 -0.000173
C 3.084641 -0.830340 -0.000002
H -0.487971 2.570880 -0.000180
H -0.716778 -2.450693 0.000261
H 2.036148 2.458233 -0.000336
H 1.795864 -2.572983 0.000276
H 4.124690 1.098541 -0.000272
H 4.009302 -1.417736 0.000023
H -2.848588 2.490436 -0.000050


