%chk=000155170.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155170

0 1
 Br   5.539800     -0.8214000     -8.5500002E-02
 S  -0.6331000       1.090800     -5.9500001E-02
 O   -3.716700       1.377400     -0.8465000    
 O   -4.023400     -0.8450000      -1.181600    
 N   -3.562600      -1.312400       1.487000    
 C   -2.953100     -0.1340000      0.8674000    
 C   -1.442300     -0.3347000      0.7345000    
 C    1.075300      0.5622000     -6.7599997E-02
 C   -3.625600      7.5099997E-02 -0.4765000    
 C    1.435400     -0.6017000     -0.7405000    
 C    2.035900       1.316700      0.5997000    
 C    2.767800      -1.014600     -0.7461000    
 C    3.368300      0.9037000      0.5940000    
 C    3.734200     -0.2620000     -7.8800000E-02
 H   -3.173400      0.7297000       1.506500    
 H  -0.9915000     -0.4842000       1.722300    
 H   -1.240700      -1.228700      0.1335000    
 H   -4.550700      -1.133600       1.663300    
 H   -3.137700      -1.477500       2.398700    
 H   0.7019000      -1.198600      -1.276000    
 H    1.768300       2.227400       1.129600    
 H    3.037000      -1.924200      -1.277000    
 H    4.108900       1.501400       1.119000    
 H   -4.140200       1.479500      -1.725400    


%chk=000155170-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155170

0 1
Br 5.180359 -1.076093 -1.245749
S -0.487215 1.473084 1.030154
O -3.823930 0.693511 -1.223505
O -2.120187 -0.884934 -1.238684
N -3.774196 -1.039963 1.495056
C -2.932058 0.032532 0.933961
C -1.529804 -0.028740 1.562268
C 1.061908 0.689711 0.407368
C -2.857002 -0.097285 -0.597922
C 1.049119 -0.377499 -0.522739
C 2.292535 1.239237 0.839923
C 2.268038 -0.908133 -1.003395
C 3.514868 0.728293 0.345782
C 3.485499 -0.345880 -0.566578
H -3.407200 0.998848 1.171199
H -1.624800 -0.006296 2.658006
H -0.989717 -0.937841 1.251201
H -4.782826 -0.900229 1.399334
H -3.468784 -1.991180 1.268937
H 0.101064 -0.786706 -0.888836
H 2.301382 2.057501 1.567057
H 2.259765 -1.734430 -1.719972
H 4.465437 1.153922 0.679358
H -3.800455 0.539872 -2.207724


