%chk=000085495.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085495

0 1
 Br   5.370700      0.2955000     -0.6117000    
 Br  -5.370600      0.2941000     -0.6080000    
 S  -6.9999998E-04   2.815100      -1.563200    
 O  -9.9999997E-05   1.169700      -1.617500    
 O   6.0000003E-04  -2.350900      0.2777000    
 O    1.270900       3.310800      -2.044600    
 O   -1.272600       3.310000      -2.044900    
 O    2.246100      -3.793900      0.4569000    
 O   -2.244600      -3.795600      0.4541000    
 O    4.707600      -2.665900      6.4300001E-02
 O   -4.705800      -2.668900      6.2199999E-02
 C    0.000000      0.5235000     -0.3075000    
 C  -3.0000001E-04   1.651600      0.7175000    
 C    1.260600     -0.3187000     -0.2280000    
 C   -1.260200     -0.3193000     -0.2281000    
 C  -7.9999998E-04   2.931500      0.1656000    
 C    1.181600      -1.683900      6.6000000E-02
 C   -1.180600      -1.684600      6.5499999E-02
 C  -3.0000001E-04   1.526000       2.101100    
 C    2.533600      0.2455000     -0.4268000    
 C   -2.533500      0.2443000     -0.4266000    
 C  -1.7000000E-03   4.094700      0.9053000    
 C    2.339500      -2.463700      0.1653000    
 C   -2.338200      -2.464900      0.1642000    
 C  -1.1000000E-03   2.685200       2.886000    
 C  -1.6000000E-03   3.958900       2.291800    
 C    3.688600     -0.5330000     -0.3325000    
 C   -3.688200     -0.5347000     -0.3326000    
 C    3.591400      -1.888200     -3.5100002E-02
 C   -3.590400      -1.890000     -3.6100000E-02
 H   9.9999997E-05  0.5498000       2.575600    
 H    2.622300       1.305500     -0.6518000    
 H   -2.622700       1.304500     -0.6507000    
 H  -2.0999999E-03   5.072400      0.4386000    
 H  -1.3000000E-03   2.600000       3.969500    
 H  -2.2000000E-03   4.844400       2.921700    
 H    1.305500      -4.019600      0.5622000    
 H   -3.069400      -4.095800      0.8696000    
 H    4.433400      -3.574900      0.2767000    
 H   -4.475800      -3.592200     -0.1319000    


%chk=000085495-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085495

0 1
Br 5.524952 0.314865 -0.087818
Br -5.412872 0.260913 -0.334814
S -0.265218 2.855325 -1.767577
O 0.117247 0.985872 -1.702251
O 0.070478 -2.500682 0.116817
O 0.920939 3.617527 -2.552105
O -1.801275 3.119702 -2.213445
O 2.394988 -3.935998 0.325521
O -2.205757 -3.962667 0.251562
O 4.845692 -2.711331 0.247035
O -4.659922 -2.825516 0.072604
C 0.063335 0.461633 -0.280268
C 0.039972 1.682703 0.660892
C 1.327868 -0.360996 -0.104475
C -1.201885 -0.387200 -0.138964
C -0.098824 2.953871 0.097197
C 1.263344 -1.759702 0.047017
C -1.136968 -1.793397 0.017406
C 0.149201 1.598537 2.067885
C 2.610188 0.244118 -0.148221
C -2.475429 0.226570 -0.248605
C -0.132911 4.154722 0.821228
C 2.425197 -2.544046 0.166207
C -2.306171 -2.584066 0.089651
C 0.121377 2.780807 2.839179
C -0.016246 4.052093 2.226010
C 3.775378 -0.530508 -0.028826
C -3.636083 -0.553572 -0.179361
C 3.700784 -1.938465 0.129205
C -3.567950 -1.954361 -0.008370
H 0.265236 0.620944 2.547685
H 2.693100 1.323768 -0.297672
H -2.554276 1.302872 -0.425401
H -0.239996 5.123606 0.324785
H 0.212186 2.714751 3.928259
H -0.030610 4.958904 2.838730
H 1.459003 -4.264902 0.316584
H -3.121092 -4.350541 0.261842
H 4.587280 -3.667828 0.334966
H -5.516561 -2.334022 -0.030293


