%chk=000175439.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000175439

0 1
 Br   10.52930      0.9824000     -0.4779000    
 S    4.900200       1.418800      -1.086900    
 O   -4.597500       2.519800      -1.064300    
 O   -5.210400      -1.633100       1.330700    
 O   -1.070300      -3.036600      -1.999600    
 O   -6.696600       3.132300     -0.3190000    
 O   -7.196900      -1.865900      0.1746000    
 N   -3.469500      0.3207000      0.2876000    
 N   0.6563000      -1.946300     -0.8224000    
 N    2.086000     -0.1630000      0.8555000    
 N    2.667800      0.5346000     -7.8999996E-03
 N    4.730200     -0.1913000      0.9208000    
 C   -4.186900       1.360200      0.9987000    
 C   -4.205200     -0.5786000     -0.5790000    
 C   -2.071800      0.1945000      0.4264000    
 C   -4.073600       2.676300      0.2484000    
 C   -4.475100      -1.889100      0.1408000    
 C   -1.390300     -0.8094000     -0.2616000    
 C   -1.370900       1.073300       1.252300    
 C  -8.0000004E-03 -0.9343000     -0.1240000    
 C   0.6930000     -5.5500001E-02  0.7019000    
 C   1.1500000E-02  0.9483000       1.390100    
 C   0.1078000      -2.902600      -1.685100    
 C   -5.931800       2.781800      -1.207500    
 C   -6.571800      -1.651900       1.204500    
 C    1.165100      -3.822600      -2.242000    
 C    4.022600      0.4964000      5.5100001E-02
 C    6.375000      0.8684000     -0.3834000    
 C    6.081700      1.2400000E-02  0.6824000    
 C   -6.341000       2.577300      -2.634700    
 C   -7.210500      -1.368400       2.530300    
 C    7.696500       1.172700     -0.7481000    
 C    7.150700     -0.5577000       1.407600    
 C    8.735900      0.5951000     -1.4300000E-02
 C    8.468700     -0.2590000       1.050100    
 H   -5.248600       1.090500       1.061900    
 H   -3.868200       1.455700       2.042400    
 H   -5.171800     -0.1257000     -0.8329000    
 H   -3.718500     -0.7306000      -1.548700    
 H   -3.034500       2.999200      0.1365000    
 H   -4.585600       3.478100      0.7940000    
 H   -3.553400      -2.394100      0.4439000    
 H   -5.003900      -2.589300     -0.5170000    
 H   -1.943400      -1.475900     -0.8957000    
 H   -1.839000       1.872900       1.815300    
 H   0.5488000       1.637300       2.037000    
 H    1.663200      -1.980900     -0.6770000    
 H   0.7025000      -4.565300      -2.897700    
 H    1.892500      -3.243700      -2.818000    
 H    1.674700      -4.339900      -1.424200    
 H   -5.788700       3.264400      -3.280500    
 H   -7.410100       2.783500      -2.738700    
 H   -6.156400       1.540700      -2.927400    
 H   -6.925600      -2.138800       3.251000    
 H   -8.298500      -1.379800       2.418800    
 H   -6.907200     -0.3794000       2.883000    
 H    7.897400       1.841100      -1.580700    
 H    6.953200      -1.226300       2.240700    
 H    9.278500     -0.7080000       1.620500    


%chk=000175439-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000175439

0 1
Br 11.135351 0.765143 0.872369
S 5.500072 2.111467 1.180911
O -5.454255 2.378580 -1.103633
O -5.538742 -1.357964 1.262686
O -0.823344 -3.436425 -1.526013
O -7.098663 2.422811 0.548763
O -7.233323 -1.217926 -0.333125
N -3.308380 0.442362 0.068628
N 0.886441 -1.980855 -0.848125
N 2.315346 0.010819 0.090268
N 3.082916 0.985228 0.567909
N 5.122493 -0.339369 0.073556
C -4.047768 1.500768 0.786844
C -4.123830 -0.557107 -0.655649
C -1.918363 0.366490 0.091490
C -4.438111 2.724011 -0.066093
C -4.583201 -1.762926 0.186265
C -1.250877 -0.797583 -0.404889
C -1.122491 1.457938 0.606690
C 0.150779 -0.872719 -0.390538
C 0.944111 0.221886 0.131540
C 0.266646 1.377839 0.623104
C 0.411941 -3.176553 -1.382872
C -6.781053 2.253812 -0.653117
C -6.861874 -1.113805 0.861079
C 1.496502 -4.165439 -1.793656
C 4.445277 0.716836 0.509069
C 6.926719 1.080861 0.794538
C 6.501468 -0.170477 0.217397
C -7.704136 1.858259 -1.777782
C -7.716740 -0.680701 2.026670
C 8.288992 1.378081 0.995874
C 7.478816 -1.127227 -0.158205
C 9.224655 0.398343 0.608782
C 8.842044 -0.843262 0.037346
H -4.959845 1.058178 1.217780
H -3.448324 1.852395 1.644071
H -5.007611 -0.048064 -1.070631
H -3.553198 -0.939128 -1.519461
H -3.588946 3.113416 -0.648626
H -4.855725 3.508788 0.590922
H -3.752369 -2.232737 0.733362
H -5.079484 -2.498428 -0.471940
H -1.790351 -1.665602 -0.781803
H -1.600622 2.373640 0.963570
H 0.876091 2.204000 1.001708
H 1.904244 -1.826465 -0.744354
H 1.327868 -5.122161 -1.270204
H 1.408263 -4.366556 -2.875642
H 2.518424 -3.811804 -1.577871
H -7.268633 2.099682 -2.758371
H -8.676661 2.360313 -1.652599
H -7.877281 0.766684 -1.718828
H -7.257278 -0.958522 2.986368
H -8.719373 -1.128419 1.935817
H -7.834930 0.418874 1.986092
H 8.615213 2.324690 1.433161
H 7.157380 -2.076230 -0.596227
H 9.605327 -1.572041 -0.247774


