%chk=000130860.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130860

0 1
 Br   3.320700      -1.488800       2.380400    
 S  -0.6525000      -1.352700      -1.637100    
 O   -3.239600      -1.282400       1.096400    
 O   0.7075000      -2.262500      0.9180000    
 O   -4.318600      -1.017200     -0.8799000    
 O    3.486600       1.667000      -1.777800    
 O   -1.393200       2.993800      0.4863000    
 N   -1.583200      0.6878000      0.7471000    
 C   -2.435800      0.4287000     -0.3861000    
 C   -1.630400      0.1863000      -1.665100    
 C   0.8893000     -0.7713000     -0.9436000    
 C   -3.427200     -0.6887000     -0.1065000    
 C    1.393800      -1.289100      0.2495000    
 C    1.592400      0.2228000      -1.624600    
 C   -1.133500       1.954300       1.086900    
 C    2.799400      0.6987000      -1.112600    
 C    2.600900     -0.8132000      0.7613000    
 C    3.303600      0.1808000      8.0399998E-02
 C  -0.2803000       1.945600       2.327000    
 H   -3.046300       1.329300     -0.5326000    
 H  -0.9990000       1.050900      -1.891300    
 H   -2.325900      8.4399998E-02  -2.506300    
 H   -1.299800     -0.1048000       1.316200    
 H    1.218700      0.6255000      -2.563400    
 H    4.245700      0.5602000      0.4693000    
 H   0.4225000       2.782600       2.289600    
 H  -0.9229000       2.048800       3.205300    
 H   0.2939000       1.018500       2.407000    
 H   -3.893100      -1.995600       1.259500    
 H    1.205100      -2.494400       1.721000    
 H    2.994000       1.909600      -2.580500    


%chk=000130860-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130860

0 1
Br 3.455881 -0.663708 2.410646
S -0.546522 -1.217696 -1.687620
O -3.762855 -1.089526 1.061725
O 0.639285 -1.325984 1.154224
O -4.032538 -1.159423 -1.241257
O 4.199527 0.932259 -2.597206
O -2.491965 2.645340 1.466317
N -1.613152 0.563224 0.917951
C -2.433645 0.459174 -0.280556
C -1.613726 0.368780 -1.581590
C 1.098346 -0.605391 -1.125812
C -3.469323 -0.673604 -0.235129
C 1.530893 -0.785997 0.214390
C 1.975441 -0.033564 -2.075249
C -1.717301 1.674561 1.740332
C 3.281911 0.360570 -1.703826
C 2.851496 -0.391421 0.554559
C 3.733308 0.174640 -0.376940
C -0.856142 1.649249 2.996046
H -3.015927 1.410536 -0.308815
H -0.938706 1.232742 -1.675603
H -2.284189 0.304398 -2.452854
H -0.979203 -0.213492 1.151491
H 1.625754 0.075224 -3.108390
H 4.748662 0.471861 -0.106217
H -0.369389 2.630316 3.120816
H -1.506526 1.488993 3.874638
H -0.086472 0.858971 2.975768
H -4.467889 -1.792114 1.022482
H 1.124609 -1.551451 1.993194
H 3.813158 1.017433 -3.503715


