%chk=000118420.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118420

0 1
 Br -0.1822000       4.065500      -1.849000    
 O  -5.2700002E-02 -0.2571000       2.173100    
 O    2.250100       2.645000     -0.6329000    
 N    1.180100       1.143400      0.8114000    
 N   -1.185100       1.239300      0.8323000    
 N   -1.196600       2.233000     -9.3599997E-02
 C    2.428200      0.5633000       1.291800    
 C   -2.505200      0.8231000       1.280200    
 C  -2.5100000E-02  0.6467000       1.330400    
 C    2.830800     -0.6047000      0.4348000    
 C   -3.031000     -0.2862000      0.4120000    
 C    1.248600       2.154500     -0.1319000    
 C  -7.9099998E-02   2.674900     -0.5560000    
 C    3.637100     -0.3941000     -0.6764000    
 C    2.391400      -1.880400      0.7643000    
 C   -2.764600      -1.606700      0.7507000    
 C   -3.776200      2.2600001E-02 -0.7186000    
 C    4.010200      -1.477600      -1.471700    
 C    2.764500      -2.963900     -3.0800000E-02
 C   -3.251900      -2.635900     -5.4900002E-02
 C   -4.263700      -1.006500      -1.524100    
 C    3.573900      -2.762500      -1.148900    
 C   -4.001500      -2.335700      -1.192300    
 H    2.322200      0.2476000       2.336800    
 H    3.218300       1.324700       1.281000    
 H   -3.183200       1.686000       1.270200    
 H   -2.448300      0.4882000       2.323200    
 H    3.991200      0.5990000     -0.9364000    
 H    1.770300      -2.057000       1.637000    
 H   -2.187800      -1.856100       1.636300    
 H   -3.985900       1.054300     -0.9868000    
 H    4.641900      -1.321100      -2.341200    
 H    2.426900      -3.964800      0.2219000    
 H   -3.048800      -3.671000      0.2040000    
 H   -4.847200     -0.7730000      -2.409800    
 H    3.865200      -3.606400      -1.767400    
 H   -4.381100      -3.136900      -1.819400    


%chk=000118420-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118420

0 1
Br -0.159494 4.147946 -1.881753
O -0.058539 -0.225034 2.230409
O 2.347787 2.646827 -0.621760
N 1.171814 1.203373 0.813798
N -1.205826 1.299770 0.870176
N -1.232693 2.293130 -0.080907
C 2.459046 0.588517 1.284002
C -2.539770 0.804393 1.325653
C -0.027291 0.689269 1.363580
C 2.884612 -0.606468 0.438086
C -3.095089 -0.295923 0.431330
C 1.249454 2.233286 -0.168982
C -0.091662 2.734516 -0.560080
C 3.682023 -0.414860 -0.719496
C 2.497540 -1.920082 0.807213
C -2.831013 -1.658263 0.722916
C -3.874456 0.033407 -0.706156
C 4.082978 -1.522609 -1.498790
C 2.900266 -3.026917 0.026923
C -3.339430 -2.676864 -0.113444
C -4.382335 -0.985178 -1.542760
C 3.693568 -2.830804 -1.127472
C -4.116135 -2.342593 -1.247296
H 2.291388 0.290304 2.331031
H 3.210954 1.392332 1.234722
H -3.196786 1.688680 1.329500
H -2.398881 0.442965 2.356401
H 3.975865 0.601214 -1.006196
H 1.876342 -2.066371 1.698266
H -2.220263 -1.911990 1.597004
H -4.077164 1.086031 -0.937263
H 4.699149 -1.366563 -2.391213
H 2.598897 -4.039062 0.319134
H -3.132086 -3.727369 0.118328
H -4.984482 -0.722610 -2.419523
H 4.007281 -3.689838 -1.731327
H -4.511869 -3.133058 -1.894754


