%chk=000040711.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040711

0 1
 Cl   1.256200       2.138700       1.787500    
 S    5.431400     -0.8316000      7.7399999E-02
 O  -0.2258000       2.761000     -0.8494000    
 O    5.938000     -0.4377000       1.384500    
 O    5.606100      -2.202100     -0.3831000    
 N   -2.567700      0.3029000     -0.1600000    
 N  -0.3368000      0.4928000     -0.2063000    
 N    6.066800      0.2283000      -1.102500    
 C   -1.393100     -0.4622000      6.1799999E-02
 C   -2.357600       1.652800     -0.5416000    
 C  -0.8502000       1.748900     -0.5641000    
 C    1.019100      0.2004000     -0.1196000    
 C   -3.859600     -0.2426000     -7.8999996E-03
 C    1.857300      0.8884000      0.7577000    
 C    1.537800     -0.8045000     -0.9361000    
 C    3.733000     -0.4336000      2.0999999E-03
 C   -4.983100      0.5522000     -0.2349000    
 C   -4.013800      -1.576800      0.3685000    
 C    3.214300      0.5713000      0.8187000    
 C    2.894800      -1.121500     -0.8751000    
 C   -6.260800      1.2800000E-02 -8.5699998E-02
 C   -5.291400      -2.116200      0.5177000    
 C   -6.414900      -1.321400      0.2906000    
 H   -1.303300      -1.301800     -0.6358000    
 H   -1.295700     -0.8022000       1.098900    
 H   -2.739900       2.366900      0.1947000    
 H   -2.735100       1.874500      -1.545000    
 H   0.9029000      -1.345300      -1.633300    
 H   -4.908200       1.594800     -0.5292000    
 H   -3.166700      -2.230200      0.5552000    
 H    3.864000       1.115500       1.499800    
 H    3.278900      -1.901800      -1.526000    
 H   -7.136000      0.6312000     -0.2624000    
 H   -5.412100      -3.155100      0.8108000    
 H   -7.409800      -1.741300      0.4068000    
 H    6.629500       1.023400     -0.7757000    
 H    6.400400     -0.1830000      -1.982900    


%chk=000040711-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040711

0 1
Cl 1.148440 2.012059 1.974705
S 5.555941 -0.833560 0.084946
O -0.198149 2.788525 -1.013970
O 6.064066 -0.346213 1.552922
O 5.736871 -2.348656 -0.480904
N -2.658867 0.307883 -0.214157
N -0.374737 0.540754 -0.282478
N 6.320407 0.255292 -1.175213
C -1.425500 -0.448268 0.029605
C -2.406578 1.695462 -0.605289
C -0.877861 1.794359 -0.669821
C 1.011511 0.223008 -0.182736
C -3.928747 -0.238899 -0.009626
C 1.846996 0.849612 0.780267
C 1.576097 -0.741562 -1.055549
C 3.724472 -0.398502 -0.037678
C -5.100132 0.548694 -0.218876
C -4.083501 -1.596065 0.405872
C 3.221720 0.554493 0.858287
C 2.944031 -1.071451 -0.989635
C -6.378005 -0.010858 -0.021141
C -5.369854 -2.138858 0.598864
C -6.528761 -1.356636 0.387700
H -1.346766 -1.342053 -0.628412
H -1.339949 -0.789076 1.084984
H -2.792841 2.432714 0.129290
H -2.834629 1.951424 -1.595415
H 0.932460 -1.214009 -1.804333
H -5.012846 1.593087 -0.535414
H -3.206434 -2.229040 0.580204
H 3.867258 1.015492 1.612085
H 3.388636 -1.825263 -1.645680
H -7.263854 0.612552 -0.188496
H -5.464965 -3.183068 0.918227
H -7.524745 -1.784570 0.539271
H 6.857177 0.999522 -0.701158
H 6.890540 -0.332426 -1.805148


