%chk=000038225.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038225

0 1
 Br  -6.789100      0.1502000      0.3834000    
 O    1.520800      -1.006200      -1.805000    
 O  -0.1473000      -1.943400      0.8891000    
 N  -0.7859000     -0.1617000     -0.4925000    
 C    1.565600     -0.8016000     -0.3901000    
 C    2.529100      -1.859000      0.2069000    
 C    2.008500      0.6189000     -4.1800000E-02
 C    3.977100      -1.734500     -0.2872000    
 C   0.1180000      -1.044400      9.4800003E-02
 C    4.863300      -2.810700      0.3225000    
 C    2.026800      0.9995000       1.281300    
 C    2.373700       1.466600      -1.063600    
 C    2.431200       2.296000       1.599500    
 C    2.778200       2.763100     -0.7453000    
 C   -2.183700     -8.9100003E-02 -0.2886000    
 C    2.807000       3.177700      0.5863000    
 C   -2.919600      0.8661000     -0.9703000    
 C   -2.787800     -0.9748000      0.5888000    
 C   -4.298000      0.9378000     -0.7691000    
 C   -4.166200     -0.9033000      0.7900000    
 C   -4.921400      5.2999999E-02  0.1109000    
 H    2.519100      -1.814600       1.303700    
 H    2.169300      -2.862300     -6.0899999E-02
 H    4.391900     -0.7559000     -2.3499999E-02
 H    4.011800      -1.820600      -1.379100    
 H    4.507500      -3.810500      5.4200001E-02
 H    4.880400      -2.732600       1.414300    
 H    5.890200      -2.706800     -4.1600000E-02
 H    1.733400      0.3259000       2.080200    
 H    2.365600       1.175500      -2.108400    
 H    1.315600      -1.942200      -1.971000    
 H  -0.4147000      0.5125000      -1.158100    
 H    2.452600       2.619300       2.636200    
 H    3.071600       3.449800      -1.533900    
 H    3.122000       4.187200      0.8340000    
 H   -2.443900       1.559900      -1.657800    
 H   -2.274600      -1.739700       1.152100    
 H   -4.872000       1.688800      -1.305900    
 H   -4.637800      -1.599200       1.479400    


%chk=000038225-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038225

0 1
Br -7.050618 -0.102211 0.240838
O 1.389555 -0.518301 -1.824350
O -0.041598 -1.056549 1.500020
N -0.909336 -0.366324 -0.582677
C 1.534282 -0.553010 -0.345206
C 2.403162 -1.765469 0.085530
C 2.138399 0.793489 0.093937
C 3.868772 -1.708595 -0.397837
C 0.108570 -0.696254 0.293210
C 4.652936 -2.975690 0.005580
C 2.252755 1.096967 1.475497
C 2.601018 1.728252 -0.862735
C 2.831456 2.316318 1.889250
C 3.178483 2.948829 -0.444265
C -2.306512 -0.320015 -0.343830
C 3.298686 3.247136 0.931766
C -3.147247 0.072239 -1.420199
C -2.885144 -0.647659 0.912184
C -4.545089 0.138646 -1.254457
C -4.284860 -0.581285 1.078272
C -5.102096 -0.191122 -0.001362
H 2.367097 -1.828252 1.187799
H 1.917120 -2.695147 -0.284954
H 4.358828 -0.812978 0.027165
H 3.905475 -1.586047 -1.499592
H 4.205707 -3.885751 -0.437713
H 4.658055 -3.106789 1.103842
H 5.703548 -2.917859 -0.331867
H 1.871699 0.389502 2.220463
H 2.505669 1.488092 -1.924688
H 1.544020 -1.430442 -2.176236
H -0.565830 -0.133088 -1.524813
H 2.913008 2.541094 2.958607
H 3.534026 3.665082 -1.193837
H 3.746650 4.193488 1.255076
H -2.710418 0.332775 -2.391872
H -2.238779 -0.948108 1.738889
H -5.184897 0.443131 -2.087336
H -4.728253 -0.833393 2.045799


