%chk=000076100.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076100

0 1
 Br   1.122000      -2.901000       1.189700    
 S    1.596800      -2.235800     -0.8087000    
 N   0.1137000      0.4622000     -0.5643000    
 N  -0.5029000      0.2381000      0.5037000    
 C    1.497000      0.5069000     -0.3201000    
 C    2.287200     -0.6378000     -0.3964000    
 C   -1.879500      0.1937000      0.2612000    
 C    2.069900       1.734900      3.8000001E-03
 C    3.657200     -0.5541000     -0.1479000    
 C    3.440000       1.818400      0.2524000    
 C    4.233500      0.6739000      0.1767000    
 C   -2.491100      -1.016700     -6.5800004E-02
 C   -2.640900       1.359400      0.3457000    
 C   -3.863900      -1.061200     -0.3086000    
 C   -4.013800       1.314700      0.1030000    
 C   -4.625200      0.1044000     -0.2242000    
 H    1.461000       2.633300      6.4599998E-02
 H    4.294800      -1.433300     -0.2019000    
 H    3.888900       2.774600      0.5049000    
 H    5.300200      0.7392000      0.3704000    
 H   -1.909000      -1.931400     -0.1349000    
 H   -2.173700       2.307100      0.6004000    
 H   -4.340000      -2.003500     -0.5635000    
 H   -4.606700       2.222200      0.1688000    
 H   -5.694200      6.9700003E-02 -0.4131000    


%chk=000076100-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076100

0 1
Br 2.904553 -4.056376 -0.228193
S 1.222177 -2.218945 -0.135990
N 0.185896 0.100481 0.014937
N -0.712669 1.029197 0.052333
C 1.557837 0.428484 0.086151
C 2.327371 -0.769948 0.017495
C -2.078728 0.621834 -0.019121
C 2.167609 1.701653 0.206872
C 3.731739 -0.706059 0.069871
C 3.573689 1.759979 0.258928
C 4.342149 0.565660 0.190760
C -2.517843 -0.730646 -0.110745
C -3.022565 1.683356 0.010591
C -3.896103 -1.002570 -0.171752
C -4.401609 1.398568 -0.052024
C -4.840838 0.056522 -0.143079
H 1.545820 2.599993 0.256968
H 4.333916 -1.617448 0.018089
H 4.079251 2.726527 0.352395
H 5.435313 0.626427 0.232522
H -1.780055 -1.538329 -0.131045
H -2.650457 2.710430 0.082100
H -4.242665 -2.039182 -0.241407
H -5.130326 2.215322 -0.029713
H -5.912162 -0.167030 -0.191042


