%chk=000036537.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036537

0 1
 Br   6.782700      -1.353700      1.4900000E-02
 O  -0.9290000       1.574000      0.1106000    
 O   0.1280000      0.1731000       1.576900    
 N   -3.712700     -0.8844000      5.0799999E-02
 N    1.206000       1.032800     -0.3149000    
 C   -2.214200       1.050000      0.4268000    
 C   -3.273900       1.998600     -0.1249000    
 C   -2.362500     -0.3519000     -0.1714000    
 C   -4.664600       1.400100      4.0300000E-02
 C   -4.733200     -1.1300000E-02 -0.5458000    
 C   -3.822900      -2.241100     -0.4846000    
 C   -5.174700      -2.852400     -0.1574000    
 C   0.1508000      0.8528000      0.5581000    
 C    2.503700      0.4775000     -0.2382000    
 C    3.431400      0.7813000      -1.221500    
 C    2.822400     -0.3598000      0.8190000    
 C    4.711900      0.2333000      -1.145900    
 C    4.102900     -0.9078000      0.8948000    
 C    5.047800     -0.6112000     -8.7600000E-02
 H   -2.321000       1.008300       1.519500    
 H   -3.076400       2.200900      -1.185700    
 H   -3.211400       2.969300      0.3811000    
 H   -2.117600     -0.3262000      -1.242700    
 H   -1.636500      -1.032700      0.2868000    
 H   -4.926000       1.370100       1.105800    
 H   -5.403500       2.042300     -0.4521000    
 H   -5.744100     -0.3745000     -0.3353000    
 H   -4.619800      3.6400001E-02  -1.636800    
 H   -3.655900      -2.267000      -1.568800    
 H   -3.054000      -2.873600     -2.3600001E-02
 H   -5.435400      -2.719900      0.8982000    
 H   -5.979800      -2.445100     -0.7764000    
 H   -5.145100      -3.930200     -0.3530000    
 H    1.029900       1.639000      -1.112500    
 H    3.180200       1.437900      -2.049900    
 H    2.146000     -0.6350000       1.615000    
 H    5.436300      0.4744000      -1.919600    
 H    4.349600      -1.564300       1.725400    


%chk=000036537-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036537

0 1
Br 7.387246 -0.561734 0.510499
O -0.816793 1.014561 -0.456685
O 0.219670 -0.404639 1.122306
N -4.031145 -0.940993 -0.083237
N 1.428767 0.834795 -0.499916
C -2.164142 0.670639 0.096916
C -3.087322 1.842090 -0.250018
C -2.653617 -0.642486 -0.543962
C -4.539975 1.483877 0.144211
C -4.968866 0.138982 -0.478980
C -4.465044 -2.299020 -0.503527
C -5.744903 -2.780040 0.204668
C 0.286355 0.394431 0.155157
C 2.775799 0.481073 -0.228032
C 3.783995 1.056449 -1.047045
C 3.145155 -0.409858 0.814705
C 5.143666 0.752718 -0.834488
C 4.506872 -0.713838 1.026665
C 5.493599 -0.133415 0.204987
H -2.068445 0.529286 1.188601
H -3.028708 2.028210 -1.340825
H -2.749957 2.760330 0.263536
H -2.592214 -0.535557 -1.659318
H -1.987930 -1.468743 -0.238329
H -4.622618 1.405589 1.244914
H -5.227428 2.284305 -0.187892
H -5.982283 -0.122010 -0.129271
H -5.014388 0.244041 -1.596949
H -4.607282 -2.355744 -1.614729
H -3.639861 -2.992476 -0.253162
H -5.629459 -2.692400 1.299276
H -6.636884 -2.203019 -0.098099
H -5.938245 -3.839598 -0.044065
H 1.256278 1.491088 -1.264546
H 3.510601 1.745437 -1.855538
H 2.373263 -0.853347 1.446630
H 5.912790 1.200727 -1.469709
H 4.788854 -1.399714 1.830653


