%chk=000019617.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019617

0 1
 Br   7.052600      -1.469100     -0.8374000    
 Cl   1.914200       4.209900      0.5206000    
 Cl   2.942500       2.569600      -1.659900    
 S   -5.694500     -0.4892000      0.1807000    
 O    3.364400      -1.021000      0.6254000    
 O    2.380700       1.614500       1.535800    
 O   -6.207200      0.7493000      0.7491000    
 O   -6.349400      -1.077000     -0.9801000    
 O    4.449300      -2.920400     -9.6900001E-02
 N   0.9629000      0.4313000      0.1390000    
 C   0.1552000      0.3212000      -1.071600    
 C   -1.299500      0.1189000     -0.7600000    
 C    1.005300     -0.7595000      0.9779000    
 C   -4.003000     -0.2548000     -0.1823000    
 C   -2.034200     -0.8431000      -1.452900    
 C   -1.916700      0.8943000      0.2217000    
 C    2.118000      -1.700900      0.5541000    
 C   -3.386000      -1.030100      -1.164100    
 C   -3.268300      0.7075000      0.5106000    
 C    1.707900       1.558600      0.5010000    
 C    1.657000       2.745700     -0.4433000    
 C   -5.704500      -1.723500       1.461300    
 C    4.469400      -1.753600      0.2682000    
 C    5.684000     -0.8785000      0.4032000    
 H   0.2539000       1.169800      -1.747500    
 H   0.5457000     -0.5401000      -1.627800    
 H   4.3900002E-02  -1.281300      0.9684000    
 H    1.186700     -0.4434000       2.012000    
 H   -1.566200      -1.454200      -2.220100    
 H   -1.366500       1.656700      0.7664000    
 H    2.136300      -2.566800       1.225800    
 H    1.954100      -2.052200     -0.4711000    
 H   -3.937700      -1.789200      -1.711200    
 H   -3.726900       1.319300       1.282300    
 H   0.6929000       2.883700     -0.9296000    
 H   -6.743200      -1.914600       1.739600    
 H   -5.247700      -2.637600       1.077500    
 H   -5.152000      -1.345100       2.323300    
 H    6.088300     -0.9392000       1.415000    
 H    5.456800      0.1548000      0.1300000    


%chk=000019617-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019617

0 1
Br 5.734000 -0.757686 -2.222952
Cl 1.293464 4.393735 0.120530
Cl 2.478362 2.424169 -1.903294
S -5.849284 -0.174256 -0.106456
O 3.660274 -0.945492 0.628869
O 2.250353 2.018677 1.652270
O -6.253823 1.167343 0.738098
O -6.438329 -0.496034 -1.598996
O 4.818830 -2.967765 0.501465
N 1.108799 0.365318 0.463994
C 0.343512 -0.107274 -0.701546
C -1.175833 -0.144759 -0.500305
C 1.426921 -0.624958 1.517990
C -3.954003 -0.199663 -0.238812
C -1.968896 -0.864086 -1.432532
C -1.805471 0.555158 0.558237
C 2.452522 -1.677764 1.084826
C -3.374538 -0.892767 -1.314214
C -3.212672 0.536623 0.696295
C 1.590676 1.664073 0.639164
C 1.246374 2.661868 -0.492607
C -6.282674 -1.680341 0.996942
C 4.776036 -1.729338 0.333949
C 5.892157 -0.860930 -0.204695
H 0.592569 0.504147 -1.587208
H 0.697574 -1.123549 -0.960007
H 0.499893 -1.147462 1.825557
H 1.818775 -0.059591 2.378939
H -1.488182 -1.396754 -2.262194
H -1.199938 1.118474 1.276487
H 2.712721 -2.335680 1.933977
H 2.103404 -2.320505 0.254709
H -4.006558 -1.406638 -2.046545
H -3.721952 1.102991 1.483604
H 0.255492 2.522105 -0.942429
H -7.378865 -1.662625 1.073530
H -5.918254 -2.576287 0.476152
H -5.796674 -1.519161 1.968803
H 6.870874 -1.316942 -0.009518
H 5.820863 0.174326 0.153023


