%chk=000086464.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086464

0 1
 Br  -5.182600     -0.5258000      0.6891000    
 S   0.8020000       1.275900     -0.8033000    
 O    1.031100      0.9768000      -2.206400    
 O    1.056500       2.601300     -0.2634000    
 O   0.6921000      -1.853500      0.6019000    
 O    2.023100      -1.806600      -1.285600    
 C    1.878100      0.1342000      0.1674000    
 C    1.848300      0.4632000       1.674500    
 C    3.349000      0.6001000      0.1728000    
 C    3.375700      0.2448000       1.674200    
 C    1.557100      -1.281600     -0.2834000    
 C  -0.8241000      0.7863000     -0.3978000    
 C   -1.478500       1.370600      0.6867000    
 C   -1.469000     -0.1890000      -1.158500    
 C   -2.777600      0.9794000       1.010800    
 C   -2.768100     -0.5800000     -0.8345000    
 C   0.3091000      -3.200000      0.3052000    
 C   -3.422400      4.1000000E-03  0.2502000    
 H    1.295600     -0.2105000       2.335000    
 H    1.568700       1.488400       1.943100    
 H    3.515800       1.664600     -2.6600000E-02
 H    4.041700      2.2900000E-02 -0.4466000    
 H    3.953100      0.9180000       2.312600    
 H    3.675900     -0.7891000       1.880100    
 H  -0.9940000       2.128700       1.295400    
 H  -0.9788000     -0.6607000      -2.005500    
 H   -3.272900       1.443600       1.859700    
 H   -3.256000      -1.342300      -1.436500    
 H    1.182000      -3.858100      0.3514000    
 H  -0.1642000      -3.254200     -0.6798000    
 H  -0.4143000      -3.521200       1.059300    


%chk=000086464-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086464

0 1
Br -5.316546 -0.999526 -0.910640
S 0.727094 1.486175 0.048540
O 1.193656 2.162044 -1.368051
O 0.638117 2.385064 1.416536
O 0.600939 -1.664122 1.423168
O 1.251977 -2.033685 -0.791568
C 2.101320 -0.095364 0.443231
C 2.828087 0.293753 1.745862
C 3.340709 0.200369 -0.418547
C 4.078902 0.696936 0.879868
C 1.306285 -1.350504 0.260077
C -0.986053 0.743090 -0.223879
C -1.877384 0.736560 0.860378
C -1.315739 0.276154 -1.506452
C -3.175209 0.217704 0.652123
C -2.613792 -0.246087 -1.710328
C -0.267678 -2.865378 1.342171
C -3.520066 -0.272234 -0.627465
H 2.978777 -0.562115 2.424903
H 2.344835 1.115542 2.305089
H 3.184283 0.958944 -1.206687
H 3.759873 -0.709035 -0.881761
H 4.282930 1.779571 0.883096
H 5.003006 0.149516 1.122599
H -1.571847 1.143784 1.829271
H -0.594096 0.329904 -2.327153
H -3.901340 0.201637 1.469224
H -2.907747 -0.621298 -2.694002
H 0.330868 -3.748722 1.064430
H -1.057731 -2.707602 0.588544
H -0.694029 -2.970776 2.348925


