%chk=000175821.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000175821

0 1
 Br -0.2727000       3.311000      0.3503000    
 S    1.323700      0.3716000      0.7074000    
 O   -2.350900     -0.7534000      -2.219400    
 O   0.3989000      -3.299800      0.7276000    
 O   -5.389300      1.4200000E-02   2.277500    
 O   -6.157300       1.764800       1.058100    
 O    4.274300      0.5546000      0.2832000    
 O    1.803100       5.447400     -0.3354000    
 O    3.804000      -2.234400      0.8907000    
 O    4.777300      -4.271400       1.118000    
 N   -1.187600      -1.395500     -0.3142000    
 N    2.045500      -3.005800     -0.8801000    
 N   -7.194500     -1.6200000E-02 -0.7721000    
 C   0.1055000      -1.558600     -0.9371000    
 C   -4.790400     -0.4710000     -0.8676000    
 C   -3.532600     -0.9034000     -0.1114000    
 C   -6.038100     -0.4381000      2.2100000E-02
 C   0.9126000     -0.2581000     -0.9530000    
 C   -2.317000      -1.002500      -1.017400    
 C   0.8369000      -2.717100     -0.2624000    
 C   -5.888700      0.5730000       1.144400    
 C    2.238500       1.853100      0.3007000    
 C    2.931700      -4.045200     -0.4107000    
 C    3.619700       1.743100      0.1396000    
 C    1.614500       3.090800      0.1442000    
 C    2.371900       4.218500     -0.1733000    
 C    4.376800       2.870800     -0.1780000    
 C    3.752900       4.108400     -0.3344000    
 C    3.931300      -3.550700      0.6028000    
 H  -6.6600002E-02  -1.861200      -1.978600    
 H   -4.614000      0.5205000      -1.307100    
 H   -4.959400      -1.157800      -1.707700    
 H   -3.291300     -0.1827000      0.6779000    
 H   -3.693500      -1.882300      0.3555000    
 H   0.3397000      0.5168000      -1.475000    
 H    1.848100     -0.3893000      -1.506000    
 H   -6.245800      -1.426500      0.4469000    
 H   -1.260600      -1.554600      0.6870000    
 H    2.326000      -2.487600      -1.706800    
 H   -8.038500     -7.2999999E-02 -0.2029000    
 H   -7.331600     -0.6649000      -1.546400    
 H    3.475400      -4.423900      -1.280600    
 H    2.341400      -4.846400      4.3800000E-02
 H    5.453800       2.802000     -0.3069000    
 H    4.357000       4.977300     -0.5819000    
 H   -5.282400      0.6751000       2.994400    
 H    5.225200      0.6895000      0.1307000    
 H    2.494400       6.096200     -0.5519000    
 H    4.464900      -1.936400       1.551400    


%chk=000175821-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000175821

0 1
Br -0.587397 2.798783 -0.620283
S 1.062214 0.071929 0.644692
O -2.157175 -0.917957 -2.342177
O 0.456078 -3.462511 0.922381
O -5.356105 -1.082582 2.045929
O -6.546860 0.888561 2.286268
O 4.128135 0.533212 0.865297
O 1.401771 4.967525 -1.299753
O 4.441996 -1.789171 -0.371494
O 3.921485 -2.117439 1.872489
N -1.280826 -1.961006 -0.471093
N 2.129640 -3.333906 -0.702496
N -6.164097 1.607642 -0.314281
C 0.062060 -2.029184 -1.038795
C -4.179174 0.118247 -0.374816
C -3.671744 -1.342834 -0.451174
C -5.671227 0.283427 0.049625
C 0.750802 -0.637811 -1.111624
C -2.325975 -1.390656 -1.170542
C 0.885006 -3.022918 -0.185404
C -5.908262 0.104553 1.549884
C 1.983428 1.587431 0.149387
C 3.225370 -3.790389 0.173682
C 3.395696 1.624878 0.341118
C 1.340633 2.734272 -0.385837
C 2.094019 3.875078 -0.767438
C 4.145899 2.756798 -0.033342
C 3.499364 3.871710 -0.595317
C 3.923321 -2.523882 0.685303
H -0.010193 -2.380668 -2.089536
H -3.541318 0.724612 0.294644
H -4.089650 0.559417 -1.384950
H -3.620994 -1.795460 0.552761
H -4.389708 -1.940005 -1.048711
H 0.087245 0.059488 -1.644718
H 1.729384 -0.693514 -1.617149
H -6.238828 -0.555745 -0.431673
H -1.396572 -2.378099 0.459493
H 2.416471 -2.896135 -1.581723
H -6.818065 2.043373 0.337285
H -6.314746 1.785264 -1.305243
H 3.923052 -4.432249 -0.387653
H 2.798372 -4.339771 1.024544
H 5.226647 2.749408 0.129929
H 4.086293 4.751715 -0.885652
H -5.564832 -1.152179 3.017313
H 3.609435 -0.017612 1.520572
H 2.020835 5.710305 -1.510369
H 4.631297 -0.833043 -0.063454


