%chk=000178951.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178951

0 1
 Br  -5.549100      0.9753000     -6.6000000E-03
 S    3.067900       1.974700     -0.5420000    
 N    4.424400     -0.7725000     -0.1820000    
 C  -0.1189000       1.433500     -0.3208000    
 C   0.8931000      0.3138000     -0.1940000    
 C   0.2405000     -0.9207000      2.3100000E-02
 C   -1.426300      0.6885000     -0.1492000    
 C   -1.187900     -0.6898000      5.0799999E-02
 C    2.272300      0.3994000     -0.2671000    
 C   0.9724000      -2.087100      0.1697000    
 C   -2.710200       1.204500     -0.1709000    
 C   -2.243800      -1.567400      0.2318000    
 C    3.009900     -0.7766000     -0.1191000    
 C    2.366600      -2.007400      9.7199999E-02
 C   -3.774400      0.3197000      1.1600000E-02
 C   -3.543700      -1.052400      0.2107000    
 C    3.307100       2.564500       1.156900    
 H   4.6000001E-03   2.169900      0.4785000    
 H  -7.2499998E-02   1.895900      -1.311300    
 H   0.4900000      -3.044300      0.3372000    
 H   -2.872700       2.266300     -0.3254000    
 H   -2.081300      -2.628700      0.3869000    
 H    2.949600      -2.919000      0.2113000    
 H   -4.378000      -1.735900      0.3525000    
 H    4.916000      9.8399997E-02 -0.3327000    
 H    4.941300      -1.634400     -6.9399998E-02
 H    2.344300       2.664100       1.664900    
 H    3.794900       3.542300       1.134000    
 H    3.939900       1.869200       1.715000    


%chk=000178951-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178951

0 1
Br -5.711636 0.945457 -0.069442
S 3.106829 2.040462 -0.562116
N 4.445753 -0.697075 -0.164201
C -0.171639 1.437274 -0.348537
C 0.868238 0.333716 -0.193602
C 0.219516 -0.918631 0.039092
C -1.488179 0.688909 -0.173796
C -1.235104 -0.699949 0.052578
C 2.267283 0.423142 -0.251960
C 0.993878 -2.088132 0.211455
C -2.799712 1.189762 -0.213497
C -2.312349 -1.594539 0.240840
C 3.058899 -0.764843 -0.094441
C 2.396517 -2.010073 0.142074
C -3.860503 0.274296 -0.021301
C -3.638762 -1.102040 0.203571
C 3.491963 2.533281 1.232864
H -0.041411 2.237865 0.405065
H -0.097123 1.930997 -1.336064
H 0.514960 -3.056994 0.392638
H -3.002331 2.250797 -0.387433
H -2.140047 -2.662234 0.414700
H 3.002507 -2.915740 0.265091
H -4.486297 -1.778466 0.347010
H 4.874319 0.179867 -0.463498
H 5.010676 -1.539130 -0.104844
H 2.552963 2.706702 1.778771
H 4.080788 3.462714 1.183059
H 4.076001 1.736404 1.717522


