%chk=000178946.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178946

0 1
 Br   6.518700      0.2450000     -2.7200000E-02
 S   -1.826100       2.626000     -0.5165000    
 O   -4.490000      -2.028700      0.1469000    
 N   -3.591600      0.1245000     -0.1669000    
 C   5.3100001E-02  0.6337000     -0.1844000    
 C    1.232000       1.576300     -0.3091000    
 C   0.4987000     -0.6910000      2.4400000E-02
 C    2.402700      0.6292000     -0.1468000    
 C    1.945700     -0.6937000      4.7400001E-02
 C   -1.294400      0.9408000     -0.2530000    
 C  -0.4113000      -1.725000      0.1669000    
 C   -2.211500     -0.1019000     -0.1095000    
 C    3.753000      0.9314000     -0.1722000    
 C    2.846800      -1.731100      0.2191000    
 C   -1.774500      -1.421500      9.8300003E-02
 C    4.661100     -0.1147000      7.9999998E-04
 C    4.212700      -1.432600      0.1948000    
 C   -1.963500       3.235700       1.186700    
 C   -4.600600     -0.8214000     -3.9799999E-02
 C   -5.961000     -0.1812000     -0.1597000    
 H    1.257700       2.046100      -1.296800    
 H    1.231400       2.318100      0.4948000    
 H  -8.7099999E-02  -2.748000      0.3276000    
 H    4.084200       1.953700     -0.3230000    
 H    2.515800      -2.753300      0.3694000    
 H   -2.417600      -2.279700      0.2181000    
 H    4.926300      -2.242600      0.3288000    
 H   -3.868600       1.092000     -0.3186000    
 H   -2.699400       2.648200       1.742100    
 H   -2.286900       4.279700       1.171200    
 H  -0.9963000       3.175000       1.692600    
 H   -6.091200      0.5649000      0.6294000    
 H   -6.738900     -0.9431000     -5.8400001E-02
 H   -6.061000      0.2988000      -1.137400    


%chk=000178946-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178946

0 1
Br 6.664931 0.319760 -0.089797
S -1.919240 2.590193 -0.518766
O -4.640708 -1.990497 0.248158
N -3.624412 0.089507 -0.169032
C 0.065690 0.597988 -0.173140
C 1.241236 1.555370 -0.328202
C 0.541376 -0.731357 0.047424
C 2.446745 0.636207 -0.168316
C 2.013422 -0.707019 0.052798
C -1.310482 0.864038 -0.223708
C -0.376689 -1.790048 0.212644
C -2.244740 -0.215683 -0.074907
C 3.813839 0.957454 -0.213572
C 2.959909 -1.740007 0.229884
C -1.761090 -1.537476 0.149760
C 4.742405 -0.093385 -0.032679
C 4.339235 -1.429579 0.187004
C -2.029313 3.190713 1.279949
C -4.727513 -0.757457 -0.025739
C -6.066985 -0.050469 -0.232426
H 1.225263 2.063164 -1.311383
H 1.228934 2.359243 0.433245
H -0.027759 -2.814147 0.384709
H 4.156736 1.982432 -0.383151
H 2.645753 -2.775321 0.399694
H -2.491307 -2.339722 0.269649
H 5.088985 -2.214112 0.322083
H -3.806532 1.076137 -0.405973
H -2.705651 2.539205 1.853067
H -2.427741 4.216555 1.240995
H -1.026163 3.191050 1.730871
H -6.206411 0.768044 0.497971
H -6.875062 -0.784158 -0.101945
H -6.138262 0.382977 -1.247167


