%chk=000033859.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033859

0 1
 Cl   8.509600       1.894700      0.2475000    
 S   -5.631700      0.2081000     -0.6752000    
 O    2.837200      0.3670000     -5.9000000E-02
 O    5.588400      -2.613900      0.3598000    
 O   -6.109700      -1.063300      -1.209800    
 O   -5.913200       1.441000      -1.401800    
 O   0.6695000      -2.440400     -1.5400000E-02
 N   0.2717000     -0.1276000     -0.2113000    
 N   -6.144200      0.3440000      0.8732000    
 N   -7.954800      0.5616000       2.438700    
 N   -8.371400      0.4364000      0.1986000    
 C    5.165300     -0.2953000      0.1606000    
 C   -1.137900     -4.7300000E-02 -0.3219000    
 C   -3.893900      0.1095000     -0.5385000    
 C    4.173000      0.6753000      1.7000001E-02
 C    2.478900     -0.9627000      1.1300000E-02
 C   -1.886100      -1.211800     -0.2937000    
 C   -1.736600       1.194100     -0.4560000    
 C   -3.274400      -1.132900     -0.4030000    
 C   -3.125000       1.273100     -0.5651000    
 C    4.770900      -1.712700      0.2343000    
 C    3.323200      -1.992400      0.1479000    
 C    1.050000      -1.270300     -7.1300000E-02
 C    6.510000      7.5499997E-02  0.2329000    
 C    4.521700       2.024000     -5.5700000E-02
 C    6.855500       1.425600      0.1597000    
 C    5.864100       2.397500      1.5799999E-02
 C   -7.410000      0.4432000       1.180500    
 H   -1.479900      -2.207000     -0.1900000    
 H   -1.146800       2.106200     -0.4758000    
 H   -3.854900      -2.050800     -0.3729000    
 H   -3.585200       2.252500     -0.6613000    
 H   0.7546000      0.7684000     -0.2401000    
 H    3.019600      -3.031300      0.2011000    
 H    7.285800     -0.6777000      0.3449000    
 H    3.756300       2.787000     -0.1676000    
 H    6.123600       3.451700     -4.1900001E-02
 H   -8.956700      0.6325000       2.578100    
 H   -7.366000      0.5806000       3.264300    
 H   -8.153800      0.3569000     -0.7878000    
 H   -9.354700      0.5141000      0.4364000    


%chk=000033859-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000033859

0 1
Cl 8.620654 1.915023 0.252972
S -5.733991 0.701056 -0.805850
O 2.844614 0.283217 -0.049767
O 5.702633 -2.735326 0.460945
O -6.371051 -0.636457 -1.557375
O -5.910391 2.155806 -1.516062
O 0.527988 -2.481711 0.035742
N 0.253135 -0.146939 -0.220344
N -6.242900 0.759023 0.969743
N -8.017601 0.672792 2.457721
N -8.329752 -0.368790 0.364121
C 5.209471 -0.373975 0.197679
C -1.154036 -0.013896 -0.345848
C -3.895384 0.401433 -0.600398
C 4.214167 0.622266 0.025535
C 2.480993 -1.070439 0.049273
C -2.039003 -1.127760 -0.316548
C -1.664246 1.303387 -0.517454
C -3.426228 -0.911179 -0.445631
C -3.047764 1.519580 -0.646752
C 4.837266 -1.816862 0.305258
C 3.394145 -2.078628 0.216157
C 0.995456 -1.307752 -0.045350
C 6.568041 0.028453 0.266672
C 4.535061 1.991849 -0.078532
C 6.884241 1.387645 0.163872
C 5.885189 2.378782 -0.008637
C -7.515537 0.348544 1.207623
H -1.637335 -2.134929 -0.195872
H -0.977678 2.158035 -0.550640
H -4.125937 -1.752555 -0.447543
H -3.465458 2.519514 -0.799455
H 0.800482 0.719089 -0.262939
H 3.025023 -3.104821 0.283841
H 7.329074 -0.746548 0.399472
H 3.742142 2.732981 -0.211226
H 6.164362 3.433056 -0.086519
H -8.713992 0.081873 2.908299
H -7.456688 1.298852 3.032310
H -7.912614 -0.711050 -0.521603
H -9.334551 -0.409538 0.520607


