%chk=000029288.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029288

0 1
 Cl   1.700700      -4.649000      0.9524000    
 S    1.191400      0.7368000       1.338000    
 N   -2.475200     -0.9252000     -0.8730000    
 N    4.550900       1.816200     -0.6536000    
 C   -2.224100       3.002000       1.161400    
 C   -1.126000       2.445800      0.2547000    
 C   -3.555000       3.241200      0.4496000    
 C   -4.247400       1.978200     -6.0899999E-02
 C   -1.259000      0.9683000      7.7000000E-03
 C   -3.479900       1.261000      -1.170000    
 C   -2.350900      0.4106000     -0.6518000    
 C  -0.2614000      9.1200002E-02  0.4418000    
 C  -0.3693000      -1.287700      0.2234000    
 C   -1.510400      -1.759500     -0.4472000    
 C    2.322400       1.027900     -4.0800001E-02
 C   0.6225000      -2.185300      0.6556000    
 C   -1.623800      -3.129800     -0.6666000    
 C    3.646000       1.584700      0.4684000    
 C   0.4860000      -3.550900      0.4243000    
 C  -0.6396000      -4.023800     -0.2382000    
 C    4.782600      0.5738000      -1.391300    
 C    5.819700       2.373500     -0.1839000    
 H   -2.373300       2.352800       2.033100    
 H   -1.885400       3.971500       1.549100    
 H  -0.1712000       2.749400      0.6846000    
 H   -1.147400       2.958000     -0.7169000    
 H   -4.232700       3.740700       1.153200    
 H   -3.406800       3.941000     -0.3823000    
 H   -5.222500       2.279900     -0.4638000    
 H   -4.450300       1.297000      0.7748000    
 H   -3.099300       1.971100      -1.913700    
 H   -4.184300      0.6109000      -1.705300    
 H    2.444100      6.1900001E-02 -0.5367000    
 H    1.858500       1.723200     -0.7492000    
 H    1.518700      -1.862500       1.176900    
 H   -2.496600      -3.524200      -1.183700    
 H    3.461600       2.536200      0.9842000    
 H    4.096200      0.8967000       1.197100    
 H  -0.7694000      -5.085600     -0.4309000    
 H    5.066400     -0.2584000     -0.7366000    
 H    5.591200      0.7095000      -2.120400    
 H    3.914400      0.2859000      -1.992000    
 H    6.349300       1.688400      0.4881000    
 H    5.652800       3.317500      0.3471000    
 H    6.476600       2.604100      -1.030000    


%chk=000029288-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029288

0 1
Cl 2.604700 -3.746461 0.739268
S 1.103443 1.671400 1.078484
N -2.391216 -0.801010 -0.887872
N 4.897800 1.105931 -0.593828
C -2.801775 3.160206 1.189454
C -1.715596 2.826866 0.121500
C -4.255202 3.060530 0.671137
C -4.685438 1.662045 0.171504
C -1.472233 1.340894 -0.069692
C -3.863210 1.125089 -1.036707
C -2.522796 0.520385 -0.654529
C -0.270820 0.706449 0.297987
C -0.115636 -0.717717 0.106839
C -1.209686 -1.426480 -0.522848
C 2.468994 1.503926 -0.257229
C 1.045512 -1.454106 0.505105
C -1.089308 -2.830411 -0.772614
C 3.828028 1.243333 0.418733
C 1.112752 -2.817812 0.237494
C 0.062366 -3.530894 -0.406734
C 4.902204 -0.214447 -1.259613
C 6.233727 1.473066 -0.080847
H -2.664082 2.501405 2.069447
H -2.628024 4.195839 1.542010
H -0.763955 3.302556 0.413365
H -2.024089 3.280687 -0.842873
H -4.945856 3.382163 1.476441
H -4.383676 3.787139 -0.158943
H -5.748274 1.714170 -0.135894
H -4.634144 0.928269 1.000061
H -3.722008 1.949768 -1.766026
H -4.428940 0.326897 -1.546386
H 2.167243 0.676438 -0.917937
H 2.494476 2.440747 -0.834219
H 1.853188 -0.943582 1.036962
H -1.932667 -3.332713 -1.255362
H 4.075473 2.102793 1.069604
H 3.753765 0.346542 1.084777
H 0.160650 -4.603246 -0.596838
H 5.131342 -1.055578 -0.558003
H 5.659360 -0.218696 -2.063421
H 3.922286 -0.418686 -1.723745
H 6.606932 0.789330 0.722821
H 6.210371 2.499991 0.324820
H 6.964818 1.451983 -0.908957


