%chk=000063825.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063825

0 1
 Cl  -4.320100       4.447800      0.1210000    
 S   -1.156800      -1.066100      -1.338300    
 O    1.736900       2.418300       1.010700    
 N   0.4019000      0.8630000     -0.1466000    
 N   -2.496900      -4.508800      0.3159000    
 N    1.408400      -1.151000     -0.9473000    
 C   -2.468500      -3.331900     -0.5474000    
 C   0.3734000     -0.3882000     -0.7873000    
 C    2.777700      0.4707000      0.2691000    
 C   -1.205100      -2.523600     -0.2790000    
 C    1.594000       1.341900      0.4352000    
 C    2.639200     -0.7258000     -0.4361000    
 C  -0.7413000       1.730900     -8.2000002E-02
 C    4.019900      0.8528000      0.7895000    
 C    3.763500      -1.540300     -0.6160000    
 C  -0.9700000       2.639600      -1.106600    
 C   -1.602200       1.649300       1.004400    
 C   -2.459200      -4.113800       1.724400    
 C   -3.687300      -5.315800      4.5299999E-02
 C    5.131300      3.1800002E-02  0.6034000    
 C    5.004000      -1.163600     -9.9900000E-02
 C   -2.079800       3.482200      -1.043600    
 C   -2.712100       2.491900       1.067400    
 C   -2.950800       3.408400      4.3400001E-02
 H   -3.361900      -2.711700     -0.3910000    
 H   -2.472300      -3.655200      -1.596700    
 H  -0.3184000      -3.141700     -0.4575000    
 H   -1.163300      -2.145200      0.7457000    
 H    4.142200       1.782800       1.337700    
 H    3.677600      -2.479000      -1.158300    
 H  -0.2965000       2.703900      -1.956900    
 H   -1.423700      0.9382000       1.806400    
 H   -1.467800      -3.761000       2.024700    
 H   -3.207500      -3.350700       1.968000    
 H   -2.651700      -4.981200       2.368100    
 H   -3.679700      -6.229400      0.6501000    
 H   -4.614100      -4.769700      0.2557000    
 H   -3.705600      -5.636100      -1.002400    
 H    6.096600      0.3253000       1.005500    
 H    5.869300      -1.803600     -0.2451000    
 H   -2.253300       4.191400      -1.848800    
 H   -3.382300       2.423000       1.920400    


%chk=000063825-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063825

0 1
Cl -4.178259 5.073145 -0.277271
S -1.554787 -0.768098 -0.019721
O 1.934007 2.930421 0.137502
N 0.422300 1.131336 0.058505
N -2.577818 -4.786038 0.022963
N 1.153122 -1.165539 0.119045
C -2.707344 -3.310883 -0.019782
C 0.198674 -0.260358 0.060678
C 2.825355 0.663594 0.190725
C -1.314318 -2.656217 -0.009469
C 1.759424 1.680752 0.131432
C 2.486976 -0.728176 0.181468
C -0.686084 2.072359 -0.020106
C 4.184223 1.067964 0.254173
C 3.528194 -1.695732 0.236089
C -1.179406 2.462054 -1.284108
C -1.239023 2.601447 1.165979
C -2.263249 -5.307562 1.369259
C -3.729964 -5.484160 -0.583646
C 5.202721 0.102401 0.307181
C 4.869162 -1.282023 0.297763
C -2.248507 3.379285 -1.368362
C -2.307800 3.520153 1.093424
C -2.796172 3.890194 -0.175236
H -3.326729 -2.915107 0.825217
H -3.226884 -3.038483 -0.957183
H -0.732180 -2.931575 -0.900398
H -0.725078 -2.896827 0.887824
H 4.404838 2.140452 0.259317
H 3.251628 -2.754245 0.226450
H -0.729394 2.054956 -2.194620
H -0.833967 2.303323 2.137688
H -1.348463 -4.834206 1.764275
H -3.088638 -5.137395 2.106664
H -2.076321 -6.394325 1.308414
H -3.526741 -6.569691 -0.614526
H -4.689461 -5.331013 -0.027556
H -3.874410 -5.136731 -1.621800
H 6.251993 0.411469 0.355244
H 5.666647 -2.032244 0.338455
H -2.643266 3.691093 -2.339012
H -2.747300 3.940032 2.002262


