%chk=000053020.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053020

0 1
 Br  -5.165700       1.475200      0.5349000    
 O    2.176900      -1.035500       1.161100    
 N    1.212600     -0.6112000     -0.9069000    
 N   0.1045000      -1.351800     -0.6145000    
 C    3.348400      0.3682000     -0.4264000    
 C    4.474700      0.5164000      0.5936000    
 C    2.204500     -0.5098000      5.1399998E-02
 C    5.574400       1.454100      0.1146000    
 C   -1.107300     -0.7023000     -0.3502000    
 C   -2.175800      -1.403100      0.2216000    
 C   -1.263600      0.6555000     -0.6543000    
 C   -3.382800     -0.7557000      0.4856000    
 C   -2.470600       1.302800     -0.3902000    
 C   -3.530300      0.5972000      0.1797000    
 H    2.935600       1.355800     -0.6668000    
 H    3.744500     -6.1500002E-02  -1.354400    
 H    4.907300     -0.4676000      0.8105000    
 H    4.069900      0.8961000       1.539500    
 H    5.179100       2.457800     -7.0699997E-02
 H    6.025800       1.085300     -0.8119000    
 H    6.362200       1.532100      0.8703000    
 H    1.259900     -0.2097000      -1.837200    
 H   0.2339000      -2.325600     -0.3715000    
 H   -2.074700      -2.457900      0.4654000    
 H  -0.4657000       1.240300      -1.104400    
 H   -4.198800      -1.319900      0.9298000    
 H   -2.569900       2.357000     -0.6359000    


%chk=000053020-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053020

0 1
Br -5.510056 1.241703 0.109491
O 1.894970 -0.310545 1.484729
N 1.254804 -0.515715 -0.739815
N 0.128608 -1.298873 -0.443757
C 3.308391 0.757431 -0.232701
C 4.641355 0.277646 0.394790
C 2.112298 -0.051683 0.267105
C 5.822929 1.196821 0.023409
C -1.137162 -0.672211 -0.283979
C -2.208193 -1.431756 0.260272
C -1.376399 0.658745 -0.711167
C -3.494865 -0.870178 0.380075
C -2.665638 1.222420 -0.595688
C -3.714533 0.454650 -0.053099
H 3.135206 1.811512 0.062892
H 3.372521 0.740244 -1.339023
H 4.850985 -0.758809 0.065222
H 4.510726 0.240260 1.491594
H 5.649195 2.229804 0.379366
H 5.975825 1.238772 -1.071719
H 6.762470 0.837269 0.480289
H 1.509025 -0.436128 -1.726933
H 0.336106 -2.067941 0.201605
H -2.037898 -2.462720 0.592214
H -0.556938 1.259370 -1.116261
H -4.312346 -1.459518 0.805248
H -2.842385 2.251631 -0.921459


