%chk=000022355.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022355

0 1
 Br -0.2835000       2.936200     -0.1964000    
 O    4.140300      0.1718000      3.8400002E-02
 N   -1.307300      7.8400001E-02  -1.027200    
 N   -1.941100     -0.1875000      1.7500000E-02
 N   -4.155600      -2.688300      0.3680000    
 N   -4.488300       1.613900       1.261300    
 C    2.803900      0.1581000     -0.2195000    
 C    2.058000       1.331000     -0.1026000    
 C    2.180600      -1.029500     -0.6024000    
 C   6.5600000E-02  0.1286000     -0.7515000    
 C   0.6889000       1.316300     -0.3686000    
 C   0.8114000      -1.044400     -0.8682000    
 C    4.716600      -1.032000      0.5428000    
 C    5.904400     -0.6828000       1.414000    
 C   -3.382500     -0.2493000     -0.2218000    
 C   -3.812900      -1.610100      0.1091000    
 C   -3.998400      0.7896000      0.6074000    
 H    2.556000       2.250300      0.1966000    
 H    2.729000      -1.957700     -0.7327000    
 H   0.3371000      -1.973900      -1.172800    
 H    4.008300      -1.595000       1.163400    
 H    5.043700      -1.654200     -0.2976000    
 H    6.378300      -1.585300       1.810300    
 H    6.647300     -0.1156000      0.8436000    
 H    5.595300     -4.8900001E-02   2.251800    
 H   -3.628000     -4.9600001E-02  -1.273800    


%chk=000022355-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022355

0 1
Br 0.138198 3.088603 -1.298702
O 4.184827 0.148169 0.257703
N -1.403358 0.497840 -0.446381
N -2.142138 -0.524175 -0.124646
N -4.532434 -1.888483 -2.241700
N -4.951569 -0.296680 1.902675
C 2.805501 0.135152 0.122048
C 2.242044 1.330115 -0.400663
C 1.966964 -0.965364 0.465254
C -0.007157 0.335126 -0.241832
C 0.856300 1.423667 -0.577768
C 0.584864 -0.852828 0.280626
C 4.861209 -1.059799 0.801401
C 6.353561 -0.749864 0.828266
C -3.612916 -0.181628 -0.405162
C -4.138781 -1.132496 -1.409169
C -4.368620 -0.259348 0.864239
H 2.908414 2.157438 -0.654988
H 2.385401 -1.890772 0.868661
H -0.085054 -1.680796 0.534740
H 4.468582 -1.263363 1.817336
H 4.635881 -1.923500 0.144966
H 6.909080 -1.617835 1.226809
H 6.727008 -0.532795 -0.186536
H 6.561112 0.122086 1.470920
H -3.679821 0.851629 -0.808996


