%chk=000004306.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004306

0 1
 Cl  -6.113000      0.2270000       1.731500    
 S   0.3506000       1.751900     -0.6912000    
 O   0.7180000       1.289100      -2.015900    
 O   0.2978000       3.172400     -0.4032000    
 N    1.337300      0.9916000      0.4656000    
 N    8.938300     -0.4487000     -0.3636000    
 C    3.959700     -0.4226000      0.2219000    
 C    2.781300     -0.9177000       1.067200    
 C    5.321000     -0.8998000      0.7379000    
 C    1.433200     -0.4839000      0.4993000    
 C    6.498100     -0.4338000     -0.1228000    
 C   -1.241200       1.087900     -0.3038000    
 C    7.827400     -0.9180000      0.4561000    
 C   -1.654300     -7.9800002E-02 -0.9221000    
 C   -2.915900     -0.6205000     -0.6252000    
 C   -3.750200      4.0899999E-02  0.3073000    
 C   -2.041800       1.746400      0.6084000    
 C   -3.298300       1.223400      0.9154000    
 C   -3.367700      -1.803300      -1.232900    
 C   -5.011700     -0.5001000      0.6046000    
 C   -4.624000      -2.326400     -0.9257000    
 C   -5.444500      -1.676100     -8.8000000E-03
 H    3.830200     -0.7674000     -0.8116000    
 H    3.962800      0.6737000      0.1917000    
 H    2.889100     -0.5398000       2.091400    
 H    2.806300      -2.012400       1.123800    
 H    5.321600      -1.995900      0.7847000    
 H    5.457600     -0.5392000       1.765100    
 H    1.313200     -0.8994000     -0.5063000    
 H   0.6316000     -0.8734000       1.135400    
 H    6.373600     -0.8122000      -1.145100    
 H    6.494300      0.6619000     -0.1809000    
 H    1.486700       1.466300       1.364800    
 H    7.953900     -0.5408000       1.476600    
 H    7.845300      -2.012500      0.5000000    
 H   -1.010500     -0.5883000      -1.635800    
 H   -1.719400       2.657800       1.102300    
 H   -3.898900       1.768000       1.638900    
 H   -2.743200      -2.328700      -1.952400    
 H    9.811700     -0.8229000      4.6999999E-03
 H    8.846300     -0.8166000      -1.309700    
 H   -4.961300      -3.242000      -1.402800    
 H   -6.419900      -2.100600      0.2167000    


%chk=000004306-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004306

0 1
Cl -6.240781 0.385649 2.130071
S 0.254259 1.580581 -0.892615
O 0.549132 0.929551 -2.351310
O 0.310792 3.171542 -0.569603
N 1.498146 0.837825 0.225915
N 9.278435 -0.288642 -0.069752
C 4.225986 -0.533620 0.068554
C 2.985910 -1.031131 0.841014
C 5.550446 -0.894756 0.777558
C 1.641588 -0.635145 0.185915
C 6.797914 -0.412378 0.004626
C -1.469271 0.968110 -0.367267
C 8.121300 -0.778312 0.707156
C -2.000147 -0.133622 -1.019604
C -3.295833 -0.609584 -0.629284
C -4.003886 0.082468 0.436888
C -2.143196 1.679805 0.661579
C -3.403910 1.229448 1.055494
C -3.893750 -1.742595 -1.271177
C -5.293714 -0.429932 0.797071
C -5.153981 -2.194139 -0.877815
C -5.867086 -1.533448 0.170899
H 4.220406 -0.973899 -0.950007
H 4.153772 0.561988 -0.066060
H 3.015071 -0.650870 1.883783
H 3.004970 -2.137943 0.914079
H 5.606284 -1.994999 0.921853
H 5.555428 -0.446937 1.793910
H 1.646935 -0.930180 -0.879378
H 0.801661 -1.161669 0.691900
H 6.790786 -0.855513 -1.014422
H 6.766367 0.685810 -0.129221
H 1.391908 1.267799 1.159284
H 8.146562 -0.289979 1.701023
H 8.132425 -1.882506 0.892392
H -1.450815 -0.613161 -1.837785
H -1.689342 2.575895 1.096640
H -3.955274 1.756404 1.839536
H -3.347843 -2.246590 -2.075910
H 10.179868 -0.366900 0.410758
H 9.320740 -0.660480 -1.024369
H -5.612638 -3.058660 -1.367886
H -6.854522 -1.889785 0.477067


