%chk=000130477.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130477

0 1
 Br  -3.577800       3.431700      0.3030000    
 O    2.280300      0.3039000      -1.200700    
 O    6.237600      0.1477000      0.1537000    
 O  -0.2887000      -1.156600      -1.586900    
 O  -0.9973000       1.888500     -0.4696000    
 O   -2.569400      -2.529000      0.4830000    
 N    4.101900     -0.7451000     -0.2060000    
 N   0.4814000     -0.9825000      0.5938000    
 C    2.738400     -0.3268000     -1.0400000E-02
 C    2.857600      0.7126000       1.098300    
 C    4.235600       1.331000      0.8596000    
 C    1.812200      -1.477500      0.3435000    
 C    5.021200      0.1939000      0.2514000    
 C  -0.4709000     -0.8622000     -0.4085000    
 C   -1.786400     -0.3108000      6.8999999E-03
 C   -1.990900       1.054700     -4.3699998E-02
 C   -2.770700      -1.181900      0.4329000    
 C   -3.227300       1.569000      0.3469000    
 C   -4.007000     -0.6675000      0.8235000    
 C   -4.235300      0.7079000      0.7805000    
 C  -0.9494000       2.175300      -1.864500    
 C   -2.895400      -3.276200     -0.6869000    
 H    2.852600      0.2379000       2.087800    
 H    2.071500       1.474000       1.071300    
 H    4.694500       1.671600       1.790700    
 H    4.188200       2.153500      0.1392000    
 H    2.147600      -2.002000       1.244800    
 H    1.769500      -2.206300     -0.4745000    
 H    4.370300      -1.579600     -0.7183000    
 H   0.2440000     -0.7031000       1.541500    
 H    2.405200     -0.3316000      -1.925800    
 H   -4.796800      -1.332000       1.163200    
 H   -5.205000       1.090400       1.088900    
 H   -1.950000       2.298900      -2.291800    
 H  -0.4191000       1.379600      -2.394200    
 H  -0.3954000       3.108300      -2.001600    
 H   -2.374000      -2.887000      -1.566200    
 H   -3.976500      -3.257800     -0.8570000    
 H   -2.585200      -4.312700     -0.5280000    


%chk=000130477-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130477

0 1
Br -3.962194 3.253720 0.668516
O 2.078909 -0.283293 -1.321306
O 6.306966 -0.596235 -0.325134
O -0.166261 -1.842151 -0.753594
O -1.177752 1.816665 0.673814
O -2.784875 -2.774203 0.078160
N 4.002341 -0.994476 0.002695
N 0.388682 -0.449505 1.016074
C 2.717677 -0.280165 -0.000344
C 3.161292 1.185299 0.293108
C 4.627882 1.267758 -0.194941
C 1.774484 -0.933574 1.054649
C 5.126303 -0.186264 -0.184745
C -0.517104 -0.972351 0.121562
C -1.936484 -0.473924 0.217847
C -2.228867 0.909980 0.407788
C -3.020178 -1.391053 0.083181
C -3.571201 1.357503 0.403321
C -4.354897 -0.925607 0.087576
C -4.634417 0.447147 0.239385
C -0.603921 2.485293 -0.526051
C -2.779028 -3.435166 -1.247264
H 3.106127 1.383112 1.378749
H 2.490400 1.882689 -0.229494
H 5.277300 1.898356 0.433000
H 4.698121 1.639630 -1.232801
H 2.184366 -0.765672 2.064480
H 1.744425 -2.024303 0.868802
H 4.068158 -2.010015 -0.094836
H 0.106857 0.381798 1.546637
H 1.450572 -1.063729 -1.386259
H -5.167863 -1.653683 0.009929
H -5.667499 0.805584 0.253310
H -1.405515 2.966444 -1.113211
H -0.049756 1.753657 -1.143672
H 0.080677 3.250794 -0.131298
H -1.896927 -3.097234 -1.816975
H -3.715488 -3.218692 -1.798266
H -2.710213 -4.511933 -1.032591


