%chk=000090799.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090799

0 1
 Br   3.047100      0.8327000       2.136000    
 O   0.6315000      0.2356000      0.1754000    
 O    5.395000     -4.8400000E-02 -3.0600000E-02
 O    4.154300      -1.826900      0.2933000    
 O  -0.6632000      -1.560900     -0.3956000    
 N    4.305200     -0.6027000      0.1702000    
 N   -1.595400      0.5013000      0.2030000    
 C    3.061100      0.2774000      0.2458000    
 C    3.219300       1.531800     -0.6304000    
 C    1.801200     -0.5495000     -3.2800000E-02
 C    3.291700       1.245900      -2.127000    
 C  -0.5704000     -0.3919000     -4.1999999E-02
 C   -2.987400      0.2776000      0.1029000    
 C   -3.863900       1.311000      0.3935000    
 C   -3.448800     -0.9708000     -0.2833000    
 C   -5.237700       1.090200      0.2953000    
 C   -4.822600      -1.191400     -0.3815000    
 C   -5.717100     -0.1610000     -9.2200004E-02
 H    2.373800       2.210600     -0.4569000    
 H    4.112900       2.102400     -0.3445000    
 H    1.742800      -1.414100      0.6419000    
 H    1.808100     -0.9313000      -1.061000    
 H    4.117100      0.5735000      -2.377100    
 H    2.360800      0.8036000      -2.494100    
 H    3.447300       2.181000      -2.675200    
 H   -1.316500       1.436200      0.4908000    
 H   -3.501200       2.289400      0.6963000    
 H   -2.819500      -1.815600     -0.5227000    
 H   -5.934200       1.892600      0.5206000    
 H   -5.197300      -2.165400     -0.6831000    
 H   -6.786700     -0.3328000     -0.1687000    


%chk=000090799-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090799

0 1
Br 3.411766 1.726690 1.877705
O 0.776095 -0.012959 1.070140
O 5.303100 0.500506 -0.645725
O 4.619574 -1.376233 0.452320
O -0.233857 -1.152204 -0.743728
N 4.440339 -0.181056 0.010378
N -1.432031 0.275271 0.727021
C 3.045348 0.485601 0.290460
C 2.614067 1.329448 -0.915135
C 2.071537 -0.620563 0.745061
C 2.427214 0.511475 -2.217768
C -0.321599 -0.374725 0.238674
C -2.766474 0.222106 0.227878
C -3.739644 1.007296 0.901763
C -3.142223 -0.568014 -0.889515
C -5.078488 1.003440 0.462401
C -4.487884 -0.559238 -1.315534
C -5.462063 0.219301 -0.650618
H 1.669302 1.827173 -0.632001
H 3.371086 2.115486 -1.071222
H 2.439429 -1.116468 1.653069
H 1.943563 -1.365651 -0.062440
H 3.367505 0.022706 -2.528046
H 1.635042 -0.250687 -2.125429
H 2.134633 1.202097 -3.027781
H -1.262376 0.854371 1.553113
H -3.448506 1.618092 1.765969
H -2.391065 -1.170255 -1.404542
H -5.820097 1.612868 0.990081
H -4.773781 -1.171428 -2.178120
H -6.502209 0.215653 -0.992131


