%chk=000004708.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004708

0 1
 Br   5.862300     -0.2519000      -2.356100    
 O   -5.545100     -0.1587000     -0.4416000    
 N    1.580400     -0.3439000      0.7325000    
 N  -9.3999997E-02   3.379000      5.0500002E-02
 N    1.817300       1.986500      0.5138000    
 N   -3.424200      -1.077400      2.6000000E-03
 C  -0.3787000       1.007600      0.2662000    
 C  -0.8906000       2.295900      4.1200001E-02
 C   0.9914000      0.9235000      0.4975000    
 C   -1.221000     -0.1177000      0.2538000    
 C   -2.583300      3.5399999E-02  1.6100001E-02
 C   -2.257700       2.420100     -0.1939000    
 C   -3.101900       1.305900     -0.2079000    
 C    2.860300     -0.8569000      0.4692000    
 C    3.598300     -0.3847000     -0.6205000    
 C    3.406200      -1.843900       1.295400    
 C    1.216500       3.165500      0.2863000    
 C    4.870100     -0.8945000     -0.8815000    
 C    4.678000      -2.354000       1.034200    
 C    5.410000      -1.879300     -5.4200001E-02
 C   -4.808200      -1.111700     -0.2178000    
 C   -5.341800      -2.503200     -0.1509000    
 C   -6.644200      -2.741600     -0.3347000    
 H  -0.8320000      -1.119500      0.4186000    
 H   -2.687400       3.404300     -0.3720000    
 H    1.048700     -0.9103000       1.387800    
 H   -4.145400       1.513600     -0.3998000    
 H   -2.958800      -1.966200      0.1759000    
 H    3.180000      0.3729000      -1.279500    
 H    2.847900      -2.223000       2.147900    
 H    1.852900       4.042000      0.2921000    
 H    5.098300      -3.120600       1.678500    
 H    6.399500      -2.287300     -0.2435000    
 H   -4.660300      -3.322800      4.8999999E-02
 H   -7.021500      -3.757600     -0.2839000    
 H   -7.360500      -1.953100     -0.5368000    


%chk=000004708-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004708

0 1
Br 6.888564 0.808020 0.106689
O -5.714570 -0.114851 -0.076568
N 1.625736 -0.441776 0.150921
N -0.094335 3.366029 -0.420215
N 1.840038 1.900009 -0.165109
N -3.569278 -1.076628 0.111234
C -0.409928 0.918088 -0.087643
C -0.925289 2.252527 -0.287437
C 1.048671 0.808273 -0.034974
C -1.324883 -0.164481 0.040047
C -2.716922 0.049454 -0.025578
C -2.338802 2.442453 -0.351798
C -3.227478 1.376638 -0.225623
C 2.986690 -0.838245 0.235674
C 4.078842 0.066987 0.140230
C 3.237554 -2.226833 0.426890
C 1.223211 3.120409 -0.350326
C 5.382775 -0.449949 0.239361
C 4.557701 -2.704293 0.521025
C 5.658037 -1.819063 0.428209
C -4.974027 -1.131091 0.083971
C -5.511123 -2.516635 0.264547
C -6.848048 -2.751355 0.266498
H -0.970287 -1.193826 0.191943
H -2.699919 3.463643 -0.504501
H 0.968866 -1.217091 0.242057
H -4.307658 1.522686 -0.274582
H -3.095711 -1.972811 0.249940
H 3.873699 1.127809 -0.006088
H 2.398578 -2.931023 0.501278
H 1.899165 3.975101 -0.450622
H 4.739179 -3.774034 0.667849
H 6.685238 -2.185098 0.500119
H -4.798308 -3.343403 0.395818
H -7.258993 -3.757379 0.396871
H -7.545485 -1.915863 0.134392


