%chk=000139533.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139533

0 1
 Br  -1.471900       2.882100     -0.2376000    
 Cl  -5.980400     -0.3179000     -8.9199997E-02
 S   0.8578000     -0.5959000      0.7733000    
 O  -0.1257000      6.9300003E-02 -0.3550000    
 O   0.7475000      -2.040600      0.7118000    
 O   0.6759000      0.1318000       2.015500    
 C    2.488100     -0.2206000      0.2040000    
 C   -1.486000      6.3000000E-03 -0.2927000    
 C    3.092900      0.9560000      0.6120000    
 C    3.131200      -1.110000     -0.6399000    
 C   -2.266200       1.161200     -0.2339000    
 C   -2.095600      -1.248300     -0.2887000    
 C    4.379500       1.252500      0.1621000    
 C    4.417900     -0.8135000      -1.089700    
 C    5.042100      0.3678000     -0.6885000    
 C   -3.656100       1.061200     -0.1709000    
 C   -3.485300      -1.348200     -0.2257000    
 C   -4.265700     -0.1934000     -0.1668000    
 H    2.591400       1.662200       1.266400    
 H    2.660500      -2.030000     -0.9721000    
 H   -1.514200      -2.161700     -0.3613000    
 H    4.864800       2.173300      0.4724000    
 H    4.933200      -1.501100      -1.754000    
 H    6.043500      0.5991000      -1.039600    
 H   -4.268000       1.959600     -0.1249000    
 H   -3.947100      -2.332200     -0.2294000    


%chk=000139533-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000139533

0 1
Br -1.436830 2.866268 0.126164
Cl -6.138852 -0.278910 -0.114012
S 0.952169 -0.626802 1.048556
O -0.161261 0.053691 -0.544075
O 0.748241 -2.239818 1.097140
O 0.694596 0.272912 2.375595
C 2.616276 -0.213023 0.289995
C -1.520178 -0.020692 -0.388466
C 3.157972 1.055546 0.554250
C 3.236662 -1.194910 -0.499195
C -2.307190 1.144390 -0.113975
C -2.192012 -1.270962 -0.553226
C 4.418978 1.350336 -0.012721
C 4.497127 -0.876356 -1.054527
C 5.081269 0.390086 -0.814189
C -3.711130 1.071716 -0.041744
C -3.591158 -1.362584 -0.466695
C -4.328812 -0.184943 -0.215571
H 2.624370 1.774781 1.183521
H 2.763045 -2.168455 -0.658308
H -1.580243 -2.157081 -0.747473
H 4.877828 2.326912 0.171247
H 5.016911 -1.615397 -1.672455
H 6.057129 0.628453 -1.250367
H -4.309713 1.965160 0.150548
H -4.101095 -2.321317 -0.592417


