%chk=000108339.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108339

0 1
 Br   3.941500     -0.5287000      0.7531000    
 S    1.117800      -1.130000     -0.3595000    
 O    1.543400     -0.8985000      -1.734500    
 O    1.198800      -2.473900      0.1989000    
 O    2.374100       1.750400     -0.8927000    
 N    1.498600       2.257700       1.167500    
 C  -0.5361000     -0.5978000     -0.1867000    
 C    2.055800     -3.9999999E-02  0.6991000    
 C   -1.347000      -1.151200      0.8042000    
 C   -1.046600      0.3807000      -1.039700    
 C   -3.178800      0.2527000      8.9199997E-02
 C   -2.668200     -0.7261000      0.9421000    
 C   -2.367800      0.8060000     -0.9017000    
 C    2.006000       1.391600      0.2237000    
 C   -4.591400      0.7072000      0.2368000    
 H    1.684900     -0.1594000       1.720600    
 H  -0.9690000      -1.908300       1.485400    
 H  -0.4321000      0.8283000      -1.815700    
 H   -3.289200      -1.162200       1.720200    
 H   -2.753200       1.571200      -1.570500    
 H   -5.009500       1.017300     -0.7270000    
 H   -5.228200     -9.8600000E-02  0.6175000    
 H   -4.643400       1.552600      0.9300000    
 H    1.192200       1.950500       2.085000    
 H    1.410800       3.248800      0.9690000    


%chk=000108339-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108339

0 1
Br 2.014111 1.733715 -1.540804
S 1.121513 -1.010425 -0.003288
O 1.516802 -1.794256 -1.374445
O 1.338407 -1.739060 1.463464
O 2.053153 2.755221 1.402011
N 2.118632 0.708468 2.526794
C -0.665234 -0.446343 -0.136171
C 2.301847 0.689655 0.088658
C -1.359986 -0.125062 1.041108
C -1.239995 -0.404866 -1.416887
C -3.337485 0.349413 -0.357331
C -2.708219 0.274208 0.914253
C -2.589707 -0.003323 -1.512853
C 2.120188 1.495595 1.398891
C -4.776405 0.813033 -0.481255
H 3.286395 0.194929 0.021744
H -0.878246 -0.208648 2.020161
H -0.657353 -0.697262 -2.296095
H -3.278304 0.526830 1.815246
H -3.067363 0.035516 -2.498256
H -5.289471 0.324485 -1.327534
H -5.351912 0.605714 0.437081
H -4.819916 1.905256 -0.657432
H 2.039263 -0.322403 2.456540
H 2.072687 1.179909 3.430699


