%chk=000053021.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053021

0 1
 Br   5.139500       1.875300     -8.5000001E-02
 O   -1.886100     -0.9805000      -1.397800    
 N  -0.9365000      -1.217700      0.7064000    
 N   0.2276000      -1.714100      0.1959000    
 C   -3.981500      0.6722000     -0.2290000    
 C   -3.177200     -0.3717000      0.5597000    
 C   -3.140000       1.916800     -0.5227000    
 C   -5.235200       1.069300      0.5528000    
 C   -1.945500     -0.8756000     -0.1754000    
 C    1.357200     -0.8892000      0.1313000    
 C    2.622400      -1.439300     -0.1059000    
 C    1.233400      0.4948000      0.3025000    
 C    3.747600     -0.6174000     -0.1709000    
 C    2.358600       1.316700      0.2374000    
 C    3.615700      0.7606000      6.9999998E-04
 H   -4.295100      0.2376000      -1.186500    
 H   -3.803900      -1.247900      0.7673000    
 H   -2.880600      4.9500000E-02   1.528600    
 H   -2.275200       1.681100      -1.150400    
 H   -3.733800       2.667500      -1.055200    
 H   -2.771600       2.373600      0.4024000    
 H   -4.977800       1.522800       1.516200    
 H   -5.864400      0.1944000      0.7470000    
 H   -5.833600       1.791600     -1.2500000E-02
 H  -0.9971000      -1.160700       1.717200    
 H   0.3225000      -2.719800      0.1384000    
 H    2.740000      -2.511700     -0.2418000    
 H   0.2729000      0.9699000      0.4834000    
 H    4.720000      -1.066500     -0.3558000    
 H    2.238700       2.388600      0.3723000    


%chk=000053021-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053021

0 1
Br 5.078945 1.951646 -0.780673
O -1.783947 -1.387607 -1.127203
N -0.972402 -1.155366 1.038724
N 0.286298 -1.693170 0.733746
C -3.834399 0.681791 -0.278588
C -3.308150 -0.494373 0.593576
C -2.896674 1.908313 -0.190293
C -5.277531 1.047372 0.134466
C -1.979812 -1.038711 0.071576
C 1.344962 -0.826418 0.350202
C 2.524738 -1.396302 -0.200380
C 1.283290 0.574972 0.561220
C 3.623035 -0.580694 -0.537415
C 2.384141 1.393730 0.228348
C 3.544998 0.810694 -0.316307
H -3.839558 0.322646 -1.326410
H -4.043934 -1.322028 0.562751
H -3.221658 -0.167698 1.649913
H -1.873173 1.660194 -0.526511
H -3.267917 2.728953 -0.830718
H -2.842405 2.290628 0.848232
H -5.314927 1.395337 1.185236
H -5.958750 0.181222 0.037490
H -5.672193 1.860946 -0.501264
H -1.170566 -0.984949 2.027333
H 0.232773 -2.588517 0.237807
H 2.586183 -2.478049 -0.368081
H 0.375288 1.027550 0.970578
H 4.525148 -1.026243 -0.966272
H 2.329195 2.474332 0.389516


