%chk=000036417.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036417

0 1
 Cl  -2.347000       4.023900      0.2647000    
 S   -3.544400      -2.081500     -0.2612000    
 O   0.3636000     -0.9364000      -1.418900    
 O   -1.367300      -3.420400      0.4061000    
 N    2.292200     -0.6342000     -0.1601000    
 N    4.907000      0.5175000      4.9800001E-02
 N   -1.251800      -1.065200      0.4989000    
 C    3.160400     -0.5436000      -1.333000    
 C    3.001500     -0.6365000       1.122700    
 C    4.146800      0.6165000      -1.204700    
 C    3.996700      0.5225000       1.204400    
 C   0.9216000     -0.8300000     -0.3239000    
 C   9.6299998E-02 -0.9071000      0.9359000    
 C    5.873000       1.610600      0.1526000    
 C   -2.110800      4.5000002E-02  0.2490000    
 C   -3.390000     -0.3204000     -0.1703000    
 C   -1.862700      -2.311000      0.2733000    
 C   -1.771700       1.385400      0.3895000    
 C   -4.355600      0.6318000     -0.4579000    
 C   -2.737200       2.353800      0.1020000    
 C   -4.020700       1.979500     -0.3190000    
 H    2.566500     -0.4241000      -2.245000    
 H    3.695600      -1.497700      -1.414000    
 H    3.527100      -1.596800       1.194300    
 H    2.314000     -0.5838000       1.968900    
 H    4.830600      0.5858000      -2.061400    
 H    3.601100       1.568400      -1.251000    
 H    3.447200       1.471900       1.257600    
 H    4.569900      0.4207000       2.133600    
 H   0.2190000     -2.5300000E-02   1.567700    
 H   0.3969000      -1.799300       1.495700    
 H    6.577800       1.580600     -0.6856000    
 H    6.468500       1.512300       1.067000    
 H    5.388300       2.593600      0.1606000    
 H  -0.7803000       1.693000      0.7052000    
 H   -5.350800      0.3476000     -0.7841000    
 H   -4.770500       2.734800     -0.5424000    


%chk=000036417-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036417

0 1
Cl -2.132329 4.080891 -0.196376
S -3.755243 -2.109219 0.109466
O 0.387753 -0.726083 -1.548709
O -1.407083 -3.449543 0.797786
N 2.314562 -0.676817 -0.237498
N 4.871579 0.596672 0.071187
N -1.323661 -1.092733 0.580994
C 3.192396 -0.473141 -1.413310
C 3.053594 -0.786194 1.038298
C 4.100933 0.748781 -1.187827
C 3.966392 0.443948 1.231316
C 0.945628 -0.794192 -0.413230
C 0.106144 -1.013265 0.877994
C 5.864486 1.671269 0.264864
C -2.122508 0.020282 0.253465
C -3.476954 -0.320310 -0.015344
C -1.946028 -2.351908 0.550502
C -1.697015 1.364308 0.200265
C -4.419475 0.669284 -0.339906
C -2.661750 2.336625 -0.119572
C -4.009377 2.023094 -0.389918
H 2.547432 -0.338809 -2.296228
H 3.818606 -1.375509 -1.556428
H 3.685110 -1.696635 1.011732
H 2.360799 -0.873175 1.889298
H 4.812295 0.830362 -2.029998
H 3.472119 1.676038 -1.178948
H 3.326092 1.353008 1.384234
H 4.575600 0.302040 2.143460
H 0.280794 -0.202787 1.610024
H 0.388664 -1.971624 1.349708
H 6.556772 1.693642 -0.595287
H 6.457961 1.469877 1.174535
H 5.405725 2.686650 0.366869
H -0.656162 1.647993 0.370524
H -5.459921 0.406689 -0.552015
H -4.723127 2.812394 -0.638926


