%chk=000002811.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002811

0 1
 Cl  -1.414600      -1.257200      -2.274100    
 S    2.736400       1.489900     -0.2549000    
 O    2.289700      -3.490100     -0.1562000    
 N    2.469800      -1.171000     -0.3262000    
 N  -0.2288000      -1.896100       1.057200    
 C   0.5560000      0.3076000      0.4438000    
 C    1.842700      4.8700001E-02 -1.2400000E-02
 C  -0.4806000     -0.7108000      0.6187000    
 C    1.475300       2.463100      0.3434000    
 C   0.3709000       1.715600      0.6745000    
 C    1.656300       3.927900      0.4298000    
 C    1.122000      -2.221600       1.471100    
 C    1.988400      -2.360800      0.2403000    
 C   -1.882400     -0.3718000      0.2638000    
 C    3.602000      -1.264200      -1.251400    
 C    1.239400       4.651700     -0.8548000    
 C   -2.389400     -0.5847000      -1.016900    
 C   -2.695100      0.1735000       1.256500    
 C   -3.712700     -0.2512000      -1.306000    
 C   -4.018300      0.5070000      0.9673000    
 C   -4.527100      0.2946000     -0.3138000    
 H  -0.5417000       2.162600       1.048600    
 H    1.057600       4.320900       1.261300    
 H    2.698000       4.182000      0.6618000    
 H    1.107200      -3.187200       1.989500    
 H    1.542200      -1.504000       2.185600    
 H    4.485300     -0.8152000     -0.7869000    
 H    3.354900     -0.7468000      -2.183600    
 H    3.841600      -2.303800      -1.491400    
 H    1.844300       4.325900      -1.707500    
 H    1.369300       5.732200     -0.7377000    
 H   0.1880000       4.457500      -1.092400    
 H   -2.312200      0.3421000       2.259900    
 H   -4.124500     -0.4102000      -2.299400    
 H   -4.652600      0.9315000       1.740000    
 H   -5.557400      0.5543000     -0.5387000    


%chk=000002811-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002811

0 1
Cl -1.237430 0.522589 -2.262236
S 2.847337 1.530093 -0.250997
O 2.627751 -3.497621 0.301271
N 2.404343 -1.231556 -0.244459
N -0.253925 -1.851620 1.215641
C 0.547692 0.351315 0.419550
C 1.850760 0.029494 0.014438
C -0.487646 -0.672400 0.664245
C 1.421456 2.569722 0.218577
C 0.334897 1.780953 0.529934
C 1.548738 4.069888 0.190009
C 1.123621 -2.125342 1.695143
C 2.109479 -2.376867 0.547614
C -1.921766 -0.366356 0.344469
C 3.403751 -1.374709 -1.330079
C 1.815457 4.647487 -1.225381
C -2.383908 0.193577 -0.873110
C -2.905547 -0.682077 1.323175
C -3.747089 0.460377 -1.110233
C -4.273619 -0.423308 1.108552
C -4.696378 0.158750 -0.108900
H -0.627006 2.204425 0.830765
H 0.604763 4.490068 0.586429
H 2.352371 4.403713 0.876124
H 1.103662 -3.041161 2.303450
H 1.512190 -1.276846 2.302581
H 4.349723 -0.866536 -1.065672
H 3.005365 -0.946960 -2.264484
H 3.599639 -2.450435 -1.455550
H 2.769726 4.272194 -1.637404
H 1.871632 5.750276 -1.186669
H 1.009085 4.362131 -1.923220
H -2.558401 -1.145817 2.251570
H -4.059036 0.882087 -2.069970
H -5.005505 -0.674772 1.882999
H -5.756281 0.367142 -0.289373


