%chk=000131811.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131811

0 1
 Br  -1.656900       5.393300     -0.4889000    
 S   -3.498300      -2.270000       1.054400    
 O    1.083800     -0.7129000      0.7550000    
 O   0.1293000      -2.203400     -0.7132000    
 O   -1.203000     -0.9351000       1.975400    
 N    3.862700     -0.1951000      -1.345400    
 C    3.446700     -0.4398000       1.207900    
 C    2.375100      -1.191300      0.3977000    
 C    3.437700       1.039400      0.7842000    
 C    4.811300      -1.023900      0.8157000    
 C    2.628500     -0.9783000      -1.105500    
 C    3.702000       1.138600     -0.7266000    
 C    5.003900     -0.8847000     -0.7037000    
 C   2.2800000E-02  -1.309800      0.1185000    
 C   -1.299700     -0.6777000      0.5597000    
 C   -1.387100      0.8282000      0.3001000    
 C   -2.520400      -1.401600     -1.2700000E-02
 C   -2.004000       1.623100       1.238100    
 C  -0.8460000       1.328600     -0.8618000    
 C   -2.912500      -1.426600      -1.300500    
 C   -4.096000      -2.206900      -1.443300    
 C   -2.084800       2.995400       1.001000    
 C  -0.9267000       2.700800      -1.098800    
 C   -4.522600      -2.724600     -0.2402000    
 C   -1.546000       3.534400     -0.1674000    
 H    3.264200     -0.5245000       2.284100    
 H    2.430800      -2.259800      0.6458000    
 H    4.209400       1.591300       1.334100    
 H    2.474700       1.503000       1.028300    
 H    4.869300      -2.079700       1.105400    
 H    5.613500     -0.4961000       1.345100    
 H    2.730000      -1.951500      -1.602600    
 H    1.800200     -0.4695000      -1.611100    
 H    2.880300       1.677600      -1.214700    
 H    4.599100       1.742800     -0.9111000    
 H    5.931800     -0.3379000     -0.9134000    
 H    5.139000      -1.875200      -1.156200    
 H   -1.284500      -1.894100       2.118900    
 H   -2.439400       1.221600       2.147500    
 H  -0.3722000      0.6959000      -1.604600    
 H   -2.407800     -0.9352000      -2.121700    
 H   -4.607600      -2.381000      -2.381000    
 H   -2.573200       3.630600       1.735600    
 H  -0.5042000       3.104200      -2.015500    
 H   -5.386600      -3.348500     -5.9599999E-02


%chk=000131811-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131811

0 1
Br -3.604549 5.350510 -2.260575
S -3.387111 -1.326011 1.496127
O 1.123061 -0.573426 0.383072
O 0.184009 -0.419171 -1.745077
O -0.908022 0.370919 1.676189
N 4.521404 0.416432 -0.183086
C 3.290400 -1.599780 0.911967
C 2.436956 -1.000942 -0.222851
C 3.601246 -0.518860 1.984460
C 4.625008 -2.075342 0.266003
C 3.201415 0.222014 -0.839802
C 4.319612 0.686807 1.274563
C 5.347239 -0.818506 -0.351281
C 0.088407 -0.309627 -0.504558
C -1.210052 0.074321 0.274127
C -1.816593 1.355558 -0.337096
C -2.153702 -1.123648 0.188073
C -1.702919 2.587619 0.347235
C -2.462900 1.314451 -1.594976
C -2.289214 -2.104131 -0.784377
C -3.361232 -3.035107 -0.521826
C -2.232228 3.772181 -0.213319
C -2.990364 2.490645 -2.170232
C -4.046970 -2.763170 0.650090
C -2.867352 3.707562 -1.468800
H 2.758330 -2.453977 1.366397
H 2.194602 -1.757856 -0.991144
H 4.246105 -0.963599 2.764996
H 2.668513 -0.190784 2.475959
H 4.425630 -2.840706 -0.508502
H 5.248939 -2.554057 1.043116
H 3.354834 0.073153 -1.922107
H 2.602653 1.141355 -0.709349
H 3.724027 1.612562 1.364514
H 5.309914 0.883905 1.722222
H 6.322015 -0.640932 0.136327
H 5.536528 -0.958523 -1.430781
H -0.183545 -0.243712 1.964908
H -1.215438 2.609229 1.324600
H -2.560623 0.366810 -2.132262
H -1.645064 -2.155971 -1.665736
H -3.605954 -3.873271 -1.178696
H -2.149945 4.722637 0.321427
H -3.487766 2.456192 -3.143451
H -4.882706 -3.299657 1.096514


