%chk=000166241.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166241

0 1
 Br   5.436300      0.9742000      -2.860600    
 Br   5.429400       1.062300       2.863300    
 S   0.2783000      -4.001700      7.3299997E-02
 O   -1.119200       2.594100     -3.0900000E-02
 O   -4.525700      -1.521200      3.2200001E-02
 O  -5.9700001E-02  -4.619900      -1.400000    
 O    1.723900      -3.885700      0.1684000    
 O  -0.4782000      -4.746800       1.064600    
 N   0.9764000       1.039800     -3.8999999E-03
 N   -2.623000      -3.275100      6.0500000E-02
 C   -1.364100      0.2371000      7.4000000E-03
 C   -2.253700     -0.8392000      2.3600001E-02
 C   1.6100001E-02  2.4000001E-03  1.1800000E-02
 C   -1.763000      -2.150300      4.3699998E-02
 C  -0.3868000      -2.379700      4.7699999E-02
 C   -1.868200       1.625400     -1.4600000E-02
 C   0.5008000      -1.305700      3.1800002E-02
 C    2.382500       1.033600     -2.7999999E-03
 C   -3.326800       1.858800     -1.8100001E-02
 C   -3.712400     -0.6059000      1.9600000E-02
 C   -4.216400      0.7825000     -1.6000000E-03
 C    3.087200       1.048500       1.206100    
 C    3.090400       1.012000      -1.209700    
 C    5.181100       1.020400      8.9999998E-04
 C    4.485300       1.005300      -1.207800    
 C    4.482100       1.041900       1.207800    
 C   -3.817500       3.169900     -3.7999999E-02
 C   -5.596600       1.017200     -5.2999998E-03
 C    2.314800       1.073400       2.490400    
 C    2.320700      0.9959000      -2.495400    
 C   -5.193600       3.399300     -4.1499998E-02
 C   -6.081300       2.325300     -2.5400000E-02
 C    6.680600       1.012000      2.4000001E-03
 H    1.571200      -1.487100      3.2000002E-02
 H   0.5979000       1.980200     -1.7000001E-02
 H   -3.148300       4.026000     -5.0999999E-02
 H   -6.311700      0.1990000      7.1999999E-03
 H   -2.257500      -4.216300      4.3900002E-02
 H   -3.625500      -3.152000      5.7900000E-02
 H    2.656500       1.892700       3.132400    
 H    1.241400       1.241100       2.368400    
 H    2.433000      0.1217000       3.019600    
 H    2.438100      2.7100001E-02  -2.992900    
 H    1.247400       1.169700      -2.381100    
 H    2.665000       1.793000      -3.163500    
 H   -5.573600       4.416800     -5.7100002E-02
 H   -7.152200       2.506800     -2.8300000E-02
 H    7.107800      0.4551000     -0.8357000    
 H    7.061800       2.038200     -2.5300000E-02
 H    7.110200      0.5019000      0.8684000    
 H   0.3464000      -4.143700      -2.162000    


%chk=000166241-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166241

0 1
Br 5.443971 1.615593 -2.907556
Br 5.390904 0.213821 2.766553
S 0.463016 -3.957974 0.343927
O -1.127041 2.711364 -0.276142
O -4.592280 -1.567511 0.245933
O 0.419592 -4.277054 -1.483161
O 1.999372 -3.816061 0.819263
O -0.507907 -5.046269 1.066003
N 0.915010 1.182259 -0.062628
N -2.616559 -3.221217 0.427529
C -1.393319 0.322374 0.008736
C -2.293626 -0.797603 0.137766
C 0.034634 0.120936 0.036794
C -1.788285 -2.147836 0.276768
C -0.353030 -2.272292 0.261907
C -1.919150 1.690184 -0.145727
C 0.531954 -1.216379 0.146990
C 2.346865 1.075341 -0.059237
C -3.382889 1.899341 -0.152343
C -3.752900 -0.588644 0.129305
C -4.271207 0.794884 -0.017404
C 3.034031 0.775718 1.156261
C 3.043518 1.319148 -1.281994
C 5.210431 0.915839 -0.081560
C 4.455462 1.246141 -1.239969
C 4.448580 0.686009 1.095822
C -3.904456 3.211442 -0.294703
C -5.672220 1.015701 -0.026441
C 2.274635 0.587544 2.453338
C 2.293878 1.637123 -2.558953
C -5.295462 3.421548 -0.301727
C -6.182028 2.319873 -0.167220
C 6.720185 0.829737 -0.134882
H 1.610808 -1.402847 0.139517
H 0.425914 2.100961 -0.196123
H -3.197754 4.040241 -0.396702
H -6.331234 0.148808 0.077875
H -2.228044 -4.151734 0.619375
H -3.630503 -3.005291 0.412794
H 2.737658 1.174923 3.264901
H 1.226328 0.903923 2.350142
H 2.291147 -0.469601 2.779739
H 2.608083 0.966240 -3.378213
H 1.207072 1.536666 -2.422181
H 2.506893 2.668491 -2.896705
H -5.696012 4.434919 -0.410832
H -7.264462 2.486375 -0.173055
H 7.041132 0.099633 -0.899658
H 7.156077 1.803979 -0.422784
H 7.146683 0.530860 0.832339
H 0.824137 -5.179327 -1.645878


