%chk=000027408.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027408

1 1
 Cl   6.054700       1.040600     -0.1118000    
 S   -1.359600      0.5629000      -2.058000    
 O   0.7559000      -2.805500       1.137600    
 N   -1.766000       3.670800      0.5719000    
 N  -0.2590000      -1.211700     -0.2663000    
 N    1.081200      0.5464000      -1.173400    
 C   -1.720000       2.271800      8.1299998E-02
 C  -0.3975000       4.349100      0.4170000    
 C   -2.796500       4.491700     -0.2162000    
 C   -2.155000       3.716500       2.056300    
 C   -1.414400       2.243000      -1.407300    
 C  -5.3900000E-02 -6.6900000E-02  -1.056500    
 C    2.121800      -1.126300      0.2770000    
 C   0.8191000      -1.812500      0.4162000    
 C    2.191400      3.6800001E-02 -0.4915000    
 C   -1.554000      -1.803900     -7.4900001E-02
 C    3.259100      -1.622300      0.9257000    
 C    3.418000      0.7019000     -0.6045000    
 C   -2.363800      -1.358800      0.9614000    
 C   -1.977900      -2.813800     -0.9285000    
 C    4.474500     -0.9503000      0.8039000    
 C    4.554300      0.2118000      4.0399998E-02
 C   -3.620800      -1.934000       1.147300    
 C   -3.235200      -3.388700     -0.7425000    
 C   -4.056600      -2.948900      0.2954000    
 H  -0.9625000       1.747200      0.6742000    
 H   -2.696100       1.815500      0.2883000    
 H   0.3600000       3.706100      0.8746000    
 H  -0.1847000       4.521100     -0.6404000    
 H  -0.4361000       5.313700      0.9332000    
 H   -2.931600       5.449100      0.2975000    
 H   -2.425100       4.685100      -1.225500    
 H   -3.739800       3.938100     -0.2335000    
 H   -1.409200       3.148400       2.620100    
 H   -2.172200       4.759900       2.384500    
 H   -3.145100       3.263800       2.162500    
 H   -2.193500       2.739800      -1.990200    
 H  -0.4636000       2.718900      -1.657000    
 H    3.218000      -2.524600       1.529300    
 H    3.481000       1.607300      -1.205300    
 H   -2.031900     -0.5707000       1.631600    
 H   -1.344300      -3.163100      -1.739000    
 H    5.351200      -1.344200       1.311700    
 H   -4.260300      -1.591700       1.955800    
 H   -3.574300      -4.179100      -1.405800    
 H   -5.035400      -3.396600      0.4403000    


%chk=000027408-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027408

1 1
Cl 5.433203 1.726611 0.500061
S -2.315360 0.367593 -0.691950
O 0.817586 -3.395757 0.682443
N -1.366855 4.366733 0.359966
N -0.521263 -1.568231 0.041241
N 0.381737 0.654683 -0.186736
C -1.841576 2.880605 0.383750
C 0.049983 4.464303 -0.205780
C -2.316961 5.226858 -0.467335
C -1.359583 4.870830 1.803386
C -1.887531 2.188395 -0.982312
C -0.614474 -0.208311 -0.230348
C 1.878234 -1.217782 0.446537
C 0.752626 -2.170987 0.420460
C 1.664624 0.163071 0.137124
C -1.692635 -2.440594 -0.040620
C 3.179436 -1.677603 0.775533
C 2.762998 1.061498 0.154646
C -2.423234 -2.726148 1.133789
C -2.047025 -3.008440 -1.284309
C 4.266790 -0.789560 0.799074
C 4.035196 0.572800 0.483401
C -3.541580 -3.583814 1.055065
C -3.168542 -3.863539 -1.353022
C -3.915836 -4.149367 -0.186585
H -1.121287 2.350785 1.029069
H -2.836310 2.883540 0.862317
H 0.684203 3.720948 0.299444
H 0.030289 4.255834 -1.284537
H 0.430514 5.482398 -0.031586
H -1.981395 6.274603 -0.424205
H -2.308498 4.881778 -1.511021
H -3.333072 5.142285 -0.052353
H -0.647521 4.270000 2.389190
H -1.054529 5.928499 1.816527
H -2.370161 4.768984 2.227076
H -2.685152 2.555462 -1.647107
H -0.909700 2.191123 -1.486430
H 3.314189 -2.738680 1.007577
H 2.610436 2.111552 -0.107485
H -2.109822 -2.299328 2.092120
H -1.448731 -2.794515 -2.175939
H 5.272949 -1.134587 1.050145
H -4.111498 -3.818280 1.959793
H -3.450823 -4.312800 -2.310421
H -4.779736 -4.819749 -0.242752


