%chk=000082691.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082691

0 1
 Br   7.136500      0.5782000     -0.1404000    
 O   -2.171000       1.787500     -0.1476000    
 O   0.2590000       1.373500      0.7572000    
 O   -5.865000      0.1067000     -0.3544000    
 O   -4.602100       1.900200     -0.4431000    
 N    1.179800     -0.6131000     -8.5900001E-02
 N   -4.742900      0.6630000     -0.2974000    
 C   -1.204800     -0.3606000      0.2458000    
 C   -2.322700      0.4401000      1.2000000E-02
 C   0.1294000      0.2183000      0.3241000    
 C   -3.591000     -0.1364000     -5.8899999E-02
 C    2.568800     -0.3354000     -9.8200001E-02
 C   -1.355100      -1.737700      0.4091000    
 C   -3.741300      -1.513400      0.1046000    
 C   -2.623400      -2.314100      0.3386000    
 C    3.015200      0.8999000      0.3386000    
 C    3.448200      -1.305700     -0.5471000    
 C    4.383000       1.173600      0.3259000    
 C    4.815900      -1.032200     -0.5597000    
 C    5.283300      0.2076000     -0.1233000    
 H  -0.5200000      -2.395800      0.6314000    
 H   0.9470000      -1.528300     -0.4624000    
 H   -4.712400      -1.999900      5.8400001E-02
 H   -2.741600      -3.385300      0.4746000    
 H    2.384000       1.697800      0.6997000    
 H    3.094800      -2.274400     -0.8891000    
 H    4.732100       2.144300      0.6691000    
 H    5.504200      -1.795900     -0.9126000    
 H   -1.233100       2.026800     -0.2097000    


%chk=000082691-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000082691

0 1
Br 7.317587 0.596599 -0.042032
O -2.202049 1.797634 0.193818
O 0.259870 1.460318 0.203383
O -5.943486 0.205211 0.589036
O -4.844853 1.871305 -0.519393
N 1.239129 -0.639331 -0.060007
N -4.883787 0.716900 0.043189
C -1.219650 -0.444193 0.034685
C -2.356835 0.453164 0.077628
C 0.135420 0.177181 0.066646
C -3.665050 -0.125190 0.040872
C 2.621212 -0.285879 -0.047870
C -1.444068 -1.844154 -0.021482
C -3.855129 -1.518243 0.006553
C -2.742714 -2.384266 -0.032432
C 3.092007 1.044606 0.108411
C 3.553398 -1.346928 -0.202971
C 4.480407 1.297376 0.109391
C 4.938470 -1.093304 -0.202505
C 5.391788 0.233458 -0.044852
H -0.603903 -2.549245 -0.040510
H 1.057823 -1.635718 -0.190813
H -4.879142 -1.901753 0.014476
H -2.890684 -3.466708 -0.068343
H 2.378525 1.860767 0.224293
H 3.202399 -2.379604 -0.324951
H 4.841504 2.322590 0.229640
H 5.648588 -1.915775 -0.322505
H -1.171978 1.982479 0.237943


