%chk=000018290.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018290

0 1
 Br   5.329300     -0.1051000      0.1528000    
 O   -3.311800       1.119600     -0.4061000    
 O   -1.415100      -1.875600      0.1319000    
 N  -0.7201000      0.3280000     -0.1933000    
 N   -2.974700     -0.2300000     -0.1819000    
 C   0.6881000      0.2272000     -0.1127000    
 C    1.459200       1.369300     -0.2544000    
 C    1.268100      -1.011900      0.1062000    
 C   -1.668300     -0.6864000     -6.4000003E-02
 C    2.848200       1.269900     -0.1750000    
 C    2.657100      -1.111400      0.1857000    
 C    3.447300      2.9600000E-02  4.5200001E-02
 C   -4.138400      -1.092400     -8.7499999E-02
 C   -3.468700       1.769200      0.8529000    
 H   -1.082700       1.261500     -0.3693000    
 H    1.002500       2.340100     -0.4258000    
 H   0.7288000      -1.939700      0.2237000    
 H    3.449400       2.168500     -0.2867000    
 H    3.109500      -2.084900      0.3573000    
 H   -4.756500     -0.9460000     -0.9777000    
 H   -4.715100     -0.8241000      0.8014000    
 H   -3.846600      -2.143200     -1.7200001E-02
 H   -3.559400       2.843400      0.6689000    
 H   -2.605200       1.604700       1.505100    
 H   -4.383200       1.429400       1.347800    


%chk=000018290-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018290

0 1
Br 5.496652 -0.074081 -0.092455
O -3.140228 1.179667 -0.174636
O -1.417704 -1.974014 0.206627
N -0.697361 0.273659 -0.055256
N -2.978450 -0.238264 0.204341
C 0.712625 0.135864 -0.059328
C 1.485377 1.309144 -0.278199
C 1.373807 -1.105066 0.148020
C -1.647072 -0.731704 0.104859
C 2.893666 1.254040 -0.289639
C 2.783840 -1.159478 0.138052
C 3.531870 0.014542 -0.079410
C -4.113328 -1.078704 -0.205915
C -3.701047 1.927636 0.977730
H -1.093427 1.202942 -0.231782
H 0.986805 2.272430 -0.442190
H 0.782802 -2.008978 0.307155
H 3.478621 2.162327 -0.459562
H 3.289260 -2.116270 0.297902
H -4.340565 -0.951945 -1.281756
H -5.006404 -0.831720 0.392354
H -3.826656 -2.124090 -0.012439
H -3.750810 2.972589 0.630837
H -3.045173 1.835116 1.861262
H -4.715402 1.564061 1.220728


