%chk=000170643.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170643

0 1
 Br   2.599900       3.241400     -0.3944000    
 Br   5.646900     -4.4599999E-02  -1.707900    
 S    1.709100     -0.9567000       1.230700    
 O    2.372200      0.2127000      0.2971000    
 O    1.284000     -0.3682000       2.488200    
 O    2.600800      -2.103500       1.200500    
 O   -4.205900     -0.5393000      -1.139300    
 N   -4.221000       1.947800      1.3700000E-02
 N   -5.071300       2.620300     -4.1400000E-02
 C   0.2405000      -1.414800      0.3808000    
 C  -0.8792000     -0.5724000      0.2880000    
 C   -2.023700      -1.017500     -0.4155000    
 C   0.2320000      -2.678200     -0.2110000    
 C    3.592700      0.8124000      0.7038000    
 C  -0.8879000      0.7023000      0.8776000    
 C   -2.014700      -2.291900      -1.005300    
 C    4.013500       1.866900     -0.3161000    
 C   -3.143400     -0.1747000     -0.5084000    
 C  -0.8936000      -3.115900     -0.9028000    
 C   -2.009100       1.526400      0.7754000    
 C   -3.134900       1.088600      8.3899997E-02
 C    4.193200       1.259200      -1.697800    
 H    1.082400      -3.351100     -0.1599000    
 H    3.437200       1.284900       1.681600    
 H    4.356800      4.1299999E-02  0.8401000    
 H  -3.7900001E-02   1.136400       1.388700    
 H   -2.865900      -2.684500      -1.557400    
 H    4.917000       2.387000      1.7899999E-02
 H  -0.8993000      -4.099200      -1.364300    
 H   -1.989800       2.513500       1.230400    
 H    4.472000       2.017400      -2.436400    
 H    3.303300      0.7368000      -2.062100    


%chk=000170643-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170643

0 1
Br 2.501326 3.252960 0.402095
Br 5.370093 0.658822 -2.379915
S 1.756318 -1.219430 1.457394
O 2.526037 -0.089647 0.161690
O 1.512534 -0.310260 2.778417
O 2.637713 -2.569066 1.591964
O -4.152615 -0.487878 -1.381939
N -3.948403 2.090136 -0.406880
N -4.913083 2.690896 -0.703488
C 0.184292 -1.597801 0.485128
C -0.824967 -0.610310 0.299698
C -1.978234 -1.050752 -0.446641
C 0.122587 -2.907949 -0.000552
C 3.742567 0.584899 0.654960
C -0.744830 0.751411 0.796893
C -2.062225 -2.376840 -0.945515
C 3.924627 1.872621 -0.151005
C -3.119035 -0.135554 -0.727668
C -1.027891 -3.302057 -0.728609
C -1.768273 1.643582 0.566729
C -2.940326 1.238187 -0.172400
C 3.787190 1.727637 -1.663028
H 0.947844 -3.602001 0.189684
H 3.652489 0.818649 1.732886
H 4.619871 -0.068754 0.482835
H 0.132502 1.072834 1.361353
H -2.962787 -2.650276 -1.504325
H 4.871723 2.359673 0.133395
H -1.101208 -4.321864 -1.116706
H -1.706108 2.670667 0.939149
H 3.844901 2.692464 -2.183625
H 2.891269 1.157799 -1.943572


