%chk=000057946.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057946

0 1
 Cl  0.2071000      -4.584500      0.1093000    
 S    3.911200       1.082700       1.226100    
 O  -0.8750000       2.828700     -0.5812000    
 O    1.026200       1.556100       1.494200    
 O   -4.432900      0.5856000      0.2563000    
 N   -2.125100      0.8351000     -0.1537000    
 N   -3.605700       2.660000     -0.1365000    
 C   0.2350000      0.6683000     -0.5330000    
 C  -0.3774000     -0.6653000     -0.2559000    
 C   -1.751300     -0.5316000     -4.6399999E-02
 C  -0.9597000       1.615900     -0.4413000    
 C    1.321000       1.006500      0.4315000    
 C   0.2476000      -1.903300     -0.2178000    
 C   -2.529200      -1.649800      0.2192000    
 C    2.716000      0.6791000      9.9299997E-02
 C  -0.5292000      -3.029100      4.9199998E-02
 C   -1.907500      -2.902400      0.2668000    
 C   -3.454500       1.291600      8.6000003E-03
 C    3.173600      8.0899999E-02  -1.021700    
 C    4.590100     -6.3699998E-02 -0.9704000    
 C    5.119600      0.4393000      0.1976000    
 H   0.5774000      0.7238000      -1.571500    
 H    1.313000      -1.998500     -0.3928000    
 H   -3.596800      -1.598200      0.3907000    
 H   -2.514300      -3.781100      0.4745000    
 H    2.573500     -0.2526000      -1.857600    
 H    5.190400     -0.5139000      -1.750500    
 H   -4.518000       3.093700     -4.0500000E-02
 H   -2.829400       3.278700     -0.3409000    
 H    6.158300      0.4597000      0.4960000    


%chk=000057946-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057946

0 1
Cl 0.153586 -4.737464 0.101243
S 3.976830 1.077187 1.344287
O -0.972080 2.842353 -0.730667
O 0.965986 1.567491 1.549661
O -4.422253 0.563399 0.331251
N -2.129874 0.832114 -0.168995
N -3.592118 2.696493 -0.132145
C 0.220588 0.655559 -0.600874
C -0.386419 -0.708512 -0.312812
C -1.772816 -0.557476 -0.044935
C -0.989985 1.602086 -0.515320
C 1.300461 1.042179 0.450528
C 0.221483 -1.972645 -0.267069
C -2.585170 -1.663675 0.267847
C 2.690631 0.722069 0.115919
C -0.600543 -3.077571 0.043004
C -1.976600 -2.942012 0.309232
C -3.475802 1.341119 0.032776
C 3.246406 0.158168 -1.039060
C 4.669369 0.000270 -0.977545
C 5.210180 0.442320 0.226393
H 0.644046 0.727241 -1.618213
H 1.291215 -2.104318 -0.451341
H -3.648356 -1.532604 0.470769
H -2.577550 -3.823344 0.550251
H 2.655253 -0.130515 -1.912048
H 5.270499 -0.419344 -1.786842
H -4.515312 3.100129 0.012013
H -2.771951 3.268944 -0.376198
H 6.254295 0.442062 0.536490


