%chk=000178455.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178455

0 1
 Br  -1.596000      -2.419000       1.997500    
 S   -3.595300       2.087700     -0.5695000    
 O  -0.4102000      -2.883600      -1.314600    
 N   -1.607700      0.2734000     -0.9806000    
 N   -2.798000     -7.6499999E-02  0.8615000    
 N    2.364800      0.3431000     -0.6460000    
 N    2.427600       1.221800       2.016800    
 C    1.258300      -1.712800      1.4000000E-02
 C   6.6200003E-02  -1.581500     -0.9667000    
 C   -1.106200     -0.8190000     -0.3795000    
 C    1.872300     -0.3676000      0.3690000    
 C    2.332600      -2.663000     -0.5389000    
 C   -1.824500      -1.036100      0.7395000    
 C   -2.639800      0.6965000     -0.1900000    
 C   -1.145800      0.8741000      -2.213100    
 C    1.890400      3.5500001E-02   1.669400    
 C    2.901900       1.529500     -0.2985000    
 C    2.932900       1.960900       1.009300    
 C    3.470200       2.372200      -1.386300    
 C   -4.793500       2.164300      0.8069000    
 H   0.9308000      -2.197800      0.9372000    
 H   0.4157000      -1.130000      -1.899900    
 H    1.939100      -3.676100     -0.6715000    
 H    3.185900      -2.728500      0.1459000    
 H    2.711500      -2.317800      -1.507400    
 H  -0.6089000      -3.363400     -0.4922000    
 H  -0.1165000       1.211200      -2.066100    
 H   -1.196300      0.1200000      -3.003500    
 H   -1.759100       1.725700      -2.506400    
 H    1.487700     -0.5516000       2.484800    
 H    3.363000       2.913300       1.296600    
 H    4.536700       2.548200      -1.214600    
 H    3.360700       1.883000      -2.359800    
 H    2.951700       3.335100      -1.432500    
 H   -5.397900       1.253600      0.8319000    
 H   -5.453700       3.022600      0.6588000    
 H   -4.268000       2.282200       1.758200    


%chk=000178455-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178455

0 1
Br -1.832248 -2.352239 2.106258
S -3.453187 2.252187 -0.835278
O -0.416125 -3.130601 -1.217538
N -1.479937 0.256951 -1.059022
N -2.794855 0.043025 0.782137
N 2.018226 0.404796 -0.542662
N 2.804943 0.989555 2.127772
C 1.312732 -1.885718 0.089970
C 0.090677 -1.780741 -0.877999
C -1.011678 -0.889746 -0.368574
C 1.854361 -0.516159 0.460395
C 2.429732 -2.742383 -0.562705
C -1.853730 -0.969338 0.746113
C -2.543058 0.774204 -0.325555
C -0.940345 0.787651 -2.319514
C 2.237783 -0.203804 1.791702
C 2.576182 1.615543 -0.220987
C 2.977278 1.887442 1.114366
C 2.735752 2.629455 -1.328771
C -4.522057 2.442909 0.703704
H 0.977149 -2.385809 1.019328
H 0.461935 -1.396230 -1.841400
H 2.009562 -3.704110 -0.902073
H 3.248158 -2.939593 0.152395
H 2.853939 -2.215778 -1.437134
H -0.918491 -3.480430 -0.435147
H 0.161247 0.806526 -2.267307
H -1.264818 0.172654 -3.177252
H -1.310163 1.816573 -2.460536
H 2.086007 -0.921351 2.605026
H 3.440194 2.843372 1.380843
H 3.302820 3.512237 -0.989965
H 3.257997 2.180298 -2.191615
H 1.747223 2.972350 -1.687311
H -5.120330 1.532325 0.840656
H -5.161521 3.317145 0.508327
H -3.878754 2.606432 1.579054


