%chk=000166131.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166131

0 1
 Br   5.999500       3.436000       1.155700    
 S   -6.255200     -0.2576000       1.909400    
 S   0.6283000      -3.253400      -1.055600    
 O   -6.755900      -1.628600       1.172800    
 O   -5.909600     -0.6130000       3.278000    
 O   -7.233500      0.7841000       1.637900    
 O   0.4910000      -3.093100      -2.675700    
 O    1.193300      -4.569700     -0.8032000    
 O  -0.6324000      -2.855800     -0.4515000    
 O    6.536300     -0.6068000       1.184700    
 N   6.8999999E-03  0.8431000     -0.4855000    
 N   0.2790000     -0.2350000      -1.058400    
 N  -0.1290000       2.526600      -2.715900    
 N    4.713100      0.7290000      0.5809000    
 C   -2.421500      0.9294000     -0.2445000    
 C   -3.669800       1.411500     -0.7052000    
 C   -1.248600       1.305200     -0.9194000    
 C   -4.785700      0.1965000       1.082700    
 C   -4.842700       1.035600     -3.0500000E-02
 C   -2.382900      8.5600004E-02  0.8775000    
 C   -1.305700       2.144300      -2.032500    
 C   -3.708400       2.255300      -1.827200    
 C   -3.558200     -0.2777000       1.535800    
 C   -2.533100       2.618400      -2.485500    
 C    1.816200      -2.059700     -0.5788000    
 C    1.533700     -0.6971000     -0.6254000    
 C    2.494900      0.2342000     -0.2405000    
 C    3.747200     -0.2004000      0.1939000    
 C    3.068700      -2.494200     -0.1445000    
 C    4.034000      -1.564500      0.2420000    
 C    6.013600      0.4950000       1.041000    
 C    6.779700       1.749600       1.369200    
 C    8.037000       1.627100       1.818200    
 H   -5.802300       1.400700     -0.3910000    
 H   -1.445400     -0.3045000       1.266600    
 H   -4.656600       2.637900      -2.199100    
 H   -3.490800     -0.9369000       2.396600    
 H   -2.591500       3.272900      -3.351600    
 H    2.312100       1.305700     -0.2897000    
 H    3.324200      -3.548600     -9.7700000E-02
 H    4.978100      -1.979300      0.5654000    
 H   0.7687000       2.186100      -2.398000    
 H  -0.1843000       3.134300      -3.522300    
 H    4.423100       1.702600      0.5161000    
 H   -6.135000      -2.392300       1.233800    
 H    1.313600      -3.270700      -3.189600    
 H    8.633200       2.499500       2.069200    
 H    8.518600      0.6643000       1.953000    


%chk=000166131-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166131

0 1
Br 6.370012 3.609355 0.239271
S -6.592531 -0.783862 1.094006
S 0.578933 -3.356734 0.198691
O -6.912793 -1.920034 -0.345939
O -6.414908 -1.696388 2.419021
O -7.678236 0.415923 1.062615
O 0.142915 -3.200234 -1.600884
O 1.293117 -4.785868 0.449166
O -0.736098 -3.005344 1.076525
O 6.971423 -0.523646 0.758307
N 0.097575 0.858148 -0.753553
N 0.272616 -0.330026 -0.213518
N -0.026910 3.113790 -2.125542
N 5.048657 0.767438 0.341034
C -2.453935 0.803977 -0.418673
C -3.674569 1.546540 -0.670179
C -1.196214 1.359965 -0.905219
C -4.942898 -0.157841 0.482621
C -4.927561 1.046279 -0.212758
C -2.545819 -0.428711 0.307880
C -1.202317 2.608763 -1.634769
C -3.628371 2.795213 -1.387580
C -3.782938 -0.913799 0.758085
C -2.435416 3.314541 -1.857665
C 1.932847 -2.058597 0.215321
C 1.633508 -0.691269 -0.016907
C 2.716974 0.221147 0.037554
C 4.036399 -0.224736 0.294721
C 3.232609 -2.524890 0.453019
C 4.301245 -1.609122 0.501077
C 6.408915 0.594756 0.560493
C 7.251115 1.852800 0.555829
C 8.587323 1.817311 0.762984
H -5.853621 1.603185 -0.392193
H -1.645437 -1.010778 0.509711
H -4.566585 3.334433 -1.561030
H -3.841310 -1.849748 1.321801
H -2.415770 4.261803 -2.407508
H 2.493039 1.283805 -0.110288
H 3.403245 -3.595546 0.603419
H 5.320138 -1.943844 0.698554
H 0.819552 2.567164 -1.954841
H 0.005108 3.988288 -2.642848
H 4.740291 1.735348 0.198524
H -7.715017 -2.473482 -0.115268
H -0.768914 -3.599242 -1.712475
H 9.211030 2.713810 0.764240
H 9.055480 0.841559 0.936770


