%chk=000096735.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096735

0 1
 Br   2.805000       3.095500     -0.5916000    
 O   -1.561600      0.6414000       1.825400    
 O   -2.248300       2.198900      0.3174000    
 N   0.9914000      -2.558600      0.3446000    
 N   -4.029700      0.3119000     -0.6544000    
 C  -0.5449000      -1.217900     -0.5323000    
 C   -1.819000     -0.7222000      -1.092000    
 C   0.6466000     -0.4639000     -0.3410000    
 C   -2.792500     -0.1579000     -2.8000001E-02
 C    1.594700      -1.328400      0.2104000    
 C  -0.3016000      -2.501800     -0.1016000    
 C    1.010600      0.8754000     -0.5845000    
 C    2.893800     -0.9191000      0.5315000    
 C    2.306600       1.299000     -0.2683000    
 C   -2.183400       1.033900      0.6834000    
 C    3.232100      0.4139000      0.2811000    
 H   -1.607800      4.9699999E-02  -1.844600    
 H   -2.316200      -1.538500      -1.633700    
 H   -3.048500     -0.9277000      0.7098000    
 H  -0.9312000      -3.380300     -7.1199998E-02
 H    1.439200      -3.383800      0.7188000    
 H   0.2931000       1.566100      -1.018700    
 H    3.614900      -1.607500      0.9592000    
 H   -4.692300      0.5947000      6.7100003E-02
 H   -4.469900     -0.4578000      -1.157400    
 H    4.238400      0.7476000      0.5253000    
 H   -1.165700       1.399800       2.305200    


%chk=000096735-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096735

0 1
Br 2.780431 3.179418 -0.528090
O -1.670065 0.741244 1.963846
O -2.233627 2.164552 0.218736
N 1.071746 -2.639062 0.311778
N -4.188675 0.195707 -0.440568
C -0.561065 -1.261880 -0.518239
C -1.890953 -0.761943 -1.020588
C 0.653221 -0.485209 -0.319137
C -2.880145 -0.208006 0.086632
C 1.659530 -1.375407 0.200038
C -0.259758 -2.566591 -0.122071
C 0.981642 0.881141 -0.538613
C 2.969560 -0.942726 0.498848
C 2.288033 1.292814 -0.236411
C -2.257282 1.023032 0.735332
C 3.282627 0.413155 0.275266
H -1.752462 0.043494 -1.767876
H -2.437623 -1.580494 -1.527783
H -3.005656 -0.985048 0.860107
H -0.896780 -3.449806 -0.122759
H 1.538077 -3.479888 0.644157
H 0.243798 1.589577 -0.926710
H 3.730641 -1.625131 0.891899
H -4.179914 1.093711 -0.933577
H -4.706931 -0.541168 -0.923865
H 4.285732 0.790375 0.492472
H -1.210300 1.556539 2.307075


