%chk=000173476.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173476

0 1
 Br   2.423500     -0.9678000       3.389500    
 O   -1.128900       1.854200      6.2000002E-03
 O    1.058200      0.1181000      -1.803200    
 N    1.390400     -0.3969000      0.4617000    
 N   -6.092400      -1.322300      9.8999999E-03
 N    6.295700       1.068100      -2.427400    
 C   -3.904900       1.543400      0.3289000    
 C   -2.995700      0.3646000     -5.6200001E-02
 C   -4.618100       1.235000       1.663100    
 C   -4.963300       1.765000     -0.7734000    
 C   -3.151100       2.880000      0.5127000    
 C   -1.648700      0.6083000     -0.1929000    
 C   -3.553100     -0.8775000     -0.2484000    
 C  -0.8117000     -0.4516000     -0.5422000    
 C   -1.345500      -1.724400     -0.7445000    
 C   -2.716200      -1.937200     -0.5976000    
 C   0.6216000     -0.2249000     -0.6953000    
 C  -0.4733000      -2.878900      -1.118100    
 C   -4.956300      -1.123300     -0.1057000    
 C    2.787400     -0.2248000      0.6217000    
 C    3.520100      0.1639000     -0.4890000    
 C    3.396100     -0.4371000       1.847900    
 C    4.898100      0.3447000     -0.3693000    
 C    4.774100     -0.2564000       1.967300    
 C    5.525100      0.1345000      0.8588000    
 C    5.668900      0.7436000      -1.504200    
 H   -5.078300       2.146300       2.067000    
 H   -5.434100      0.5167000       1.612700    
 H   -3.905300      0.8800000       2.417600    
 H   -5.781300       1.047700     -0.7993000    
 H   -5.455300       2.737000     -0.6375000    
 H   -4.499800       1.782100      -1.767400    
 H   -3.879900       3.659200      0.7847000    
 H   -2.459900       2.882600       1.364400    
 H   -2.710600       3.268500     -0.4137000    
 H   -3.133400      -2.930000     -0.7548000    
 H   7.1000002E-02  -2.667600      -2.044400    
 H   0.2420000      -3.093800     -0.3176000    
 H   -1.055400      -3.791200      -1.288500    
 H  -0.1669000       1.852700     -0.1217000    
 H   0.8964000     -0.6787000       1.306200    
 H    3.109100      0.3450000      -1.469900    
 H    5.280700     -0.4153000       2.916000    
 H    6.598300      0.2711000      0.9677000    


%chk=000173476-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173476

0 1
Br 2.967358 -2.988860 2.061583
O -1.289785 2.082491 -0.486856
O 1.027064 1.256796 -0.709073
N 1.621796 -0.745076 0.311021
N -6.001925 -1.668766 0.364004
N 6.340996 2.559065 -1.494883
C -4.196821 1.757989 0.101849
C -3.140605 0.612698 0.004003
C -4.959753 1.626312 1.461117
C -5.191251 1.635003 -1.096769
C -3.638088 3.210734 0.073951
C -1.732472 0.812132 -0.218217
C -3.541972 -0.752804 0.106147
C -0.769783 -0.281173 -0.174052
C -1.239257 -1.634516 -0.104513
C -2.619913 -1.836544 0.015663
C 0.668099 0.107721 -0.230450
C -0.363576 -2.875419 -0.230453
C -4.913044 -1.184623 0.254487
C 3.027586 -0.572763 0.356055
C 3.704436 0.484669 -0.309309
C 3.819913 -1.505307 1.092413
C 5.115286 0.590504 -0.240905
C 5.220432 -1.400786 1.163241
C 5.880683 -0.351858 0.495205
C 5.778981 1.669970 -0.926918
H -5.719573 2.426610 1.524112
H -5.484760 0.666227 1.583403
H -4.260967 1.752558 2.308395
H -5.735074 0.676220 -1.110059
H -5.942469 2.443416 -1.029819
H -4.654764 1.746548 -2.056617
H -4.493378 3.895574 0.231776
H -2.899732 3.391152 0.872041
H -3.161493 3.461090 -0.884766
H -3.015052 -2.856464 0.041442
H 0.443931 -2.755803 -0.973218
H 0.096493 -3.179336 0.731862
H -0.983354 -3.729298 -0.550122
H -0.276768 2.030711 -0.713351
H 1.275724 -1.584511 0.784338
H 3.113168 1.217229 -0.859090
H 5.791880 -2.134270 1.737804
H 6.969102 -0.262640 0.545326


