%chk=000178713.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178713

0 1
 Cl  -3.743100      -2.897400     -0.6043000    
 S   -4.990800      3.5300002E-02 -5.5000000E-02
 O    3.445000      -1.791300       1.156600    
 O   0.1569000       2.384700     -0.6003000    
 O   -5.198200       1.443700     -0.3517000    
 O   -5.621500     -0.9832000     -0.8794000    
 O   0.1707000       2.066700       1.681100    
 O    2.280500       3.258600      0.1047000    
 O    2.737700       1.729600      -1.566300    
 N   0.8920000     -0.8766000      5.9200000E-02
 N   -5.389700     -0.2525000       1.580100    
 C  -0.5036000     -0.6584000      3.2200001E-02
 C   -1.049800      0.5890000      0.2647000    
 C   -3.265200     -0.2689000     -2.9700000E-02
 C   -2.415400      0.8041000      0.2387000    
 C   -1.353400      -1.731500     -0.2362000    
 C    1.480300      -2.157100     -0.1778000    
 C   -2.734200      -1.536800     -0.2671000    
 C    2.978900      -2.182200     -4.1099999E-02
 C  -0.1734000       1.750600      0.5530000    
 C    3.960400      -2.526700     -0.9036000    
 C    5.164400      -2.336400     -0.1845000    
 C    4.797200      -1.888500       1.063100    
 C   0.9967000       3.544400     -0.4743000    
 C    3.041400       2.333300     -0.5463000    
 C    4.336600       2.147600      0.1841000    
 H   -2.809000       1.797600      0.4350000    
 H    1.492900     -8.3700001E-02  0.2518000    
 H  -0.9708000      -2.730200     -0.4274000    
 H    1.230000      -2.504500      -1.188300    
 H    1.090200      -2.895200      0.5350000    
 H    3.849700      -2.871900      -1.921400    
 H   -5.926500      -1.100800       1.798300    
 H   -5.639100      0.5578000       2.160200    
 H    6.173500      -2.503900     -0.5321000    
 H    5.348100      -1.608200       1.949000    
 H    1.138400       3.979800      -1.469400    
 H   0.4932000       4.292500      0.1479000    
 H    4.873300       3.098000      0.2375000    
 H    4.142900       1.756400       1.186100    
 H    4.957700       1.428100     -0.3573000    


%chk=000178713-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178713

0 1
Cl -3.941916 -2.972557 0.702566
S -5.174606 0.186105 0.377309
O 3.471196 -1.176195 -0.206241
O 1.083873 1.514037 -0.780762
O -5.243149 1.810318 0.291721
O -6.097377 -0.751517 -0.573527
O -0.756098 2.956745 -0.653193
O 2.492722 3.092725 0.329422
O 4.441474 1.831034 0.000860
N 0.736690 -1.070935 -0.435282
N -5.494479 -0.223843 2.140834
C -0.584345 -0.782589 -0.224051
C -1.105810 0.570618 -0.306989
C -3.360151 -0.262663 0.178198
C -2.490956 0.792019 -0.103310
C -1.504591 -1.840038 0.090714
C 1.338524 -2.404503 -0.285200
C -2.860434 -1.578765 0.284094
C 2.795939 -2.339115 -0.638975
C -0.314915 1.790257 -0.580598
C 3.684885 -3.165601 -1.301980
C 4.976444 -2.500714 -1.289039
C 4.809525 -1.296474 -0.630302
C 1.965283 2.666713 -0.967285
C 3.748209 2.567096 0.730547
C 4.074089 3.044294 2.123554
H -2.882764 1.814347 -0.168302
H 1.364397 -0.272383 -0.602962
H -1.148708 -2.867751 0.185012
H 0.850637 -3.142002 -0.952850
H 1.199674 -2.767173 0.757793
H 3.453883 -4.127119 -1.756713
H -6.046382 -1.095639 2.186461
H -5.966872 0.591691 2.565905
H 5.900904 -2.869759 -1.728333
H 5.439491 -0.442299 -0.400356
H 2.776647 2.317501 -1.622782
H 1.390212 3.520710 -1.351216
H 3.996855 4.143269 2.178273
H 3.340522 2.631550 2.838187
H 5.086379 2.720507 2.403594


