%chk=000076047.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076047

0 1
 Br  -4.863300      0.1753000      -1.719200    
 Br -0.9712000       4.603600       1.647300    
 S    1.523200      -2.049300      -1.723800    
 O   0.4865000     -0.7829000      -1.609300    
 O    2.642500      -1.674200      -2.560800    
 O   0.7679000      -3.269800      -1.909300    
 O   -5.139900      -1.578600      0.8474000    
 O    1.365100       5.322600     -0.2931000    
 C   0.2872000     -0.2655000     -0.2496000    
 C    1.330600     -0.9980000      0.5980000    
 C    2.041200      -1.988600     -7.6499999E-02
 C   -1.180900     -0.6141000      3.9400000E-02
 C   0.5704000       1.245200     -0.2557000    
 C    1.641600     -0.7715000       1.935700    
 C    3.034000      -2.762200      0.4892000    
 C   -2.189400     -0.1511000     -0.8072000    
 C  -0.1849000       2.101800      0.5467000    
 C   -1.508300      -1.395800       1.148300    
 C    1.584700       1.762800      -1.062800    
 C    2.639400      -1.540600       2.548300    
 C    3.329700      -2.529000       1.829200    
 C   -3.522000     -0.4692000     -0.5454000    
 C   7.3600002E-02   3.472400      0.5421000    
 C   -2.840800      -1.713900       1.410100    
 C    1.843200       3.133300      -1.067500    
 C   -3.847700      -1.250600      0.5632000    
 C    1.087700       3.988200     -0.2649000    
 H    1.122800     -1.0400000E-02   2.510300    
 H    3.567000      -3.516000     -7.7900000E-02
 H   -1.936200      0.4559000      -1.673600    
 H  -0.9614000       1.715600       1.201500    
 H  -0.7704000      -1.792900       1.834300    
 H    2.193300       1.118200      -1.690100    
 H    2.884100      -1.368700       3.593200    
 H    4.102500      -3.111800       2.322900    
 H   -3.079500      -2.325500       2.276300    
 H    2.637700       3.520100      -1.700200    
 H   -5.162200      -2.123300       1.652800    
 H    2.098300       5.484000     -0.9112000    


%chk=000076047-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076047

0 1
Br -5.069196 1.031903 -0.741339
Br -0.220785 4.644935 1.905419
S 1.916146 -2.009993 -1.793964
O 0.306007 -0.985033 -1.639013
O 3.023604 -1.188402 -2.645556
O 1.560995 -3.518250 -2.242583
O -5.338418 -1.566262 0.881557
O 1.645259 5.242121 -0.473764
C 0.179185 -0.352828 -0.285178
C 1.227764 -1.015132 0.639963
C 2.186890 -1.846078 0.052900
C -1.265225 -0.650677 0.127092
C 0.526111 1.149138 -0.392125
C 1.329195 -0.794060 2.033711
C 3.233644 -2.481424 0.737498
C -2.312080 0.181978 -0.348086
C 0.060117 2.061586 0.588362
C -1.603157 -1.825028 0.842506
C 1.383293 1.620315 -1.412992
C 2.362647 -1.416001 2.766914
C 3.311833 -2.254956 2.130172
C -3.654286 -0.134160 -0.084678
C 0.443186 3.413451 0.546480
C -2.946985 -2.143257 1.106446
C 1.760202 2.976287 -1.456151
C -3.990803 -1.300798 0.648015
C 1.299113 3.890659 -0.476913
H 0.606068 -0.145848 2.538669
H 3.953353 -3.122959 0.220610
H -2.077477 1.075684 -0.932883
H -0.617854 1.729596 1.380421
H -0.819180 -2.504051 1.191183
H 1.749592 0.935250 -2.182536
H 2.432311 -1.243703 3.845886
H 4.107936 -2.728035 2.713481
H -3.194939 -3.054833 1.664719
H 2.420849 3.330133 -2.257977
H -5.455926 -2.413980 1.378871
H 2.237112 5.458209 -1.237039


