%chk=000017931.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017931

0 1
 Cl -0.2381000      -4.480000      0.8029000    
 S   -2.601500       3.681700     -0.1395000    
 N   -2.336600      0.9645000     -0.5779000    
 N   9.5100001E-02   1.744600       1.081700    
 C  -0.5014000     -0.5057000      0.3048000    
 C   -1.784000     -0.3311000     -0.2549000    
 C   0.4380000      0.6314000      0.5264000    
 C   -1.293700       1.895100       1.482100    
 C   -2.080700       2.108600      0.1986000    
 C    1.854300      0.4978000      7.8699999E-02
 C  -3.6800001E-02  -1.789800      0.6426000    
 C   -2.542900      -1.490300     -0.5149000    
 C   -3.257400       1.007800      -1.727700    
 C  -0.8186000      -2.913400      0.3931000    
 C   -2.067400      -2.764400     -0.1939000    
 C    2.156100     -0.2997000      -1.018800    
 C    2.858000       1.172000      0.7638000    
 C    3.480800     -0.4248000      -1.437300    
 C    4.182700       1.047100      0.3453000    
 C    4.494100      0.2486000     -0.7552000    
 H   -1.372000       2.759300       2.151300    
 H   -1.672100       1.039000       2.053000    
 H   0.9386000      -1.917000       1.108200    
 H   -3.541900      -1.427000     -0.9401000    
 H   -2.960100      0.2790000      -2.488900    
 H   -3.250300       1.986900      -2.211700    
 H   -4.272300      0.8027000      -1.373300    
 H   -2.693700      -3.629000     -0.3991000    
 H    1.389700     -0.8125000      -1.592400    
 H    2.640800       1.792500       1.628900    
 H    3.722800      -1.040800      -2.298500    
 H    4.972200       1.570100      0.8773000    
 H    5.525500      0.1522000      -1.081700    


%chk=000017931-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017931

0 1
Cl -0.337911 -4.640341 0.723805
S -2.994300 3.550770 -0.013192
N -2.336983 0.957568 -0.549858
N 0.101891 1.713073 1.072458
C -0.481597 -0.547527 0.241936
C -1.826048 -0.345079 -0.208552
C 0.463041 0.593313 0.476552
C -1.312667 1.856546 1.501332
C -2.215928 2.064623 0.285934
C 1.894621 0.463200 0.059283
C -0.046723 -1.873377 0.518826
C -2.680471 -1.466821 -0.387736
C -3.169522 1.077059 -1.772404
C -0.919457 -2.956962 0.346591
C -2.239835 -2.773648 -0.112262
C 2.290369 -0.393835 -1.003707
C 2.882267 1.255004 0.706804
C 3.642830 -0.460796 -1.404693
C 4.231773 1.181934 0.309713
C 4.618879 0.322259 -0.747368
H -1.393300 2.746897 2.138419
H -1.664867 0.966578 2.071967
H 0.975554 -2.038497 0.870099
H -3.709891 -1.311796 -0.723942
H -2.944895 0.236197 -2.445920
H -2.929283 2.033934 -2.264772
H -4.247549 1.098202 -1.527672
H -2.911130 -3.627490 -0.239007
H 1.541047 -0.991551 -1.533813
H 2.562223 1.925254 1.510342
H 3.932621 -1.118697 -2.231420
H 4.983669 1.792975 0.821206
H 5.668774 0.266430 -1.056046


