%chk=000026624.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026624

0 1
 Br   7.110500      -3.916700      4.8599999E-02
 S    4.120500       1.762800      0.3553000    
 O    4.683600       2.617800     -0.6802000    
 O    4.213600       2.162200       1.753500    
 O   -3.819400      0.5673000     -0.9811000    
 O   -2.618300      0.5102000      0.9988000    
 O   -4.941900      -3.298100     -0.3185000    
 O   -3.533300      -1.874500      -1.217400    
 N   -1.584300      0.9638000      -1.057400    
 N   -4.561700      -2.125200     -0.5457000    
 C    2.440900       1.527500     -6.0800001E-02
 C    4.945200      0.1960000      0.2704000    
 C    2.029900       1.633500      -1.389400    
 C    1.510300       1.233800      0.9358000    
 C  -0.2424000       1.151400     -0.7250000    
 C   0.6883000       1.445300      -1.721600    
 C   0.1687000       1.045700      0.6037000    
 C    5.517600     -0.1974000     -0.9242000    
 C    4.997400     -0.5967000       1.401000    
 C    6.166500      -1.430200     -0.9907000    
 C    5.646400      -1.829700       1.334400    
 C    6.230900      -2.246400      0.1385000    
 C   -2.654500      0.6666000     -0.2164000    
 C   -4.964100      0.2697000     -0.2342000    
 C   -5.322800      -1.043000     -2.4300000E-02
 C   -5.693200       1.326600      0.2662000    
 C   -6.468700      -1.313700      0.7237000    
 C   -6.839000       1.055900       1.014100    
 C   -7.226800     -0.2643000       1.242900    
 H    2.737300       1.853300      -2.184100    
 H    1.811000       1.141000       1.975800    
 H   0.3820000       1.529000      -2.761300    
 H  -0.4934000      0.8197000       1.428100    
 H    5.471200      0.4213000      -1.814800    
 H    4.540900     -0.2956000       2.338500    
 H    6.615500      -1.740900      -1.930700    
 H    5.685900      -2.454700       2.222900    
 H   -1.813900       1.055700      -2.044100    
 H   -5.392400       2.354300      8.7800004E-02
 H   -6.803400      -2.328400      0.9238000    
 H   -7.429300       1.873100       1.418300    
 H   -8.119100     -0.4745000       1.825400    


%chk=000026624-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000026624

0 1
Br 7.129595 -4.196930 -0.204907
S 4.312286 1.766988 0.319987
O 4.897426 2.648635 -0.931672
O 4.464807 2.200435 1.891699
O -3.890586 0.986260 -0.709086
O -2.647368 0.612344 1.278309
O -4.407715 -3.129931 0.500833
O -3.119520 -1.639652 -0.634629
N -1.643765 1.182218 -0.797904
N -4.190974 -1.953840 0.018125
C 2.465689 1.536515 -0.008633
C 5.086952 0.040987 0.162627
C 2.000498 1.729050 -1.319160
C 1.617578 1.255218 1.073186
C -0.265206 1.292305 -0.484798
C 0.619362 1.601202 -1.554851
C 0.234401 1.123839 0.835554
C 5.582638 -0.349666 -1.090537
C 5.196170 -0.744155 1.320329
C 6.193271 -1.620045 -1.199798
C 5.806452 -2.014695 1.209407
C 6.287190 -2.435367 -0.050295
C -2.672151 0.871516 0.061428
C -5.071938 0.437916 -0.174670
C -5.246412 -0.928376 0.190719
C -6.162563 1.324498 -0.055319
C -6.491276 -1.373873 0.696865
C -7.406485 0.872317 0.428237
C -7.569158 -0.479682 0.815895
H 2.697344 1.999060 -2.119100
H 2.024459 1.166626 2.085804
H 0.226688 1.746628 -2.568134
H -0.452063 0.895751 1.653110
H 5.521068 0.328422 -1.948007
H 4.842938 -0.364924 2.284764
H 6.592518 -1.961012 -2.158685
H 5.909758 -2.657132 2.087866
H -1.919792 1.298299 -1.775688
H -6.006277 2.369146 -0.339096
H -6.583530 -2.426224 0.977985
H -8.240849 1.575650 0.514318
H -8.529264 -0.832818 1.203523


