%chk=000087313.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087313

0 1
 Cl  -2.827800      -3.346400      0.1558000    
 S   -1.592100       2.822600     -0.1144000    
 O   -4.764800      -1.090300      0.5797000    
 N   0.4856000      0.5532000     -0.5585000    
 N    3.800300      -2.988900      0.3929000    
 C    1.391400     -0.4208000      -1.181000    
 C    2.140800      -1.220000     -0.1154000    
 C  -0.8386000      0.1289000     -0.2809000    
 C    1.022800       1.821200     -0.2205000    
 C    3.154100      -2.226800     -0.6686000    
 C   -1.864500       1.063300     -3.7799999E-02
 C   0.1810000       2.923400      2.8200001E-02
 C   -1.184000      -1.237800     -0.1987000    
 C    2.412100       2.031900     -8.2199998E-02
 C   -3.174400      0.6369000      0.2456000    
 C   0.7186000       4.176800      0.3707000    
 C   -2.486200      -1.656300      8.8200003E-02
 C   -3.483200     -0.7178000      0.3075000    
 C    2.940900       3.278500      0.2634000    
 C    4.714100      -3.984600     -0.1701000    
 C    2.801200      -3.640100       1.242100    
 C    2.093500       4.352800      0.4871000    
 C   -5.640800      -1.259800     -0.5331000    
 H   0.8519000      -1.094800      -1.859500    
 H    2.104800      8.2199998E-02  -1.847800    
 H    1.394800      -1.734500      0.4926000    
 H    2.657900     -0.5660000      0.5941000    
 H    3.913400      -1.675900      -1.237300    
 H    2.643000      -2.894700      -1.375000    
 H  -0.4539000      -2.020200     -0.3789000    
 H    3.142700       1.252000     -0.2666000    
 H   -3.964800       1.365100      0.4205000    
 H   6.9799997E-02   5.031700      0.5512000    
 H    4.016100       3.406200      0.3498000    
 H    5.476200      -3.499700     -0.7905000    
 H    4.190600      -4.727000     -0.7836000    
 H    5.249900      -4.511000      0.6277000    
 H    3.284600      -4.356600       1.917900    
 H    2.049600      -4.189900      0.6638000    
 H    2.305000      -2.926600       1.907400    
 H    2.499400       5.324300      0.7523000    
 H   -5.805300     -0.3013000      -1.035400    
 H   -6.600700      -1.627200     -0.1598000    
 H   -5.239800      -1.989300      -1.243500    


%chk=000087313-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087313

0 1
Cl -2.704096 -3.328825 0.121998
S -1.595104 2.987328 -0.471778
O -4.770703 -0.999254 0.524396
N 0.561860 0.713335 -0.611047
N 3.701295 -3.194318 0.253088
C 1.533600 -0.290239 -1.105819
C 2.223630 -1.165228 -0.021231
C -0.768960 0.278393 -0.345527
C 1.048170 1.989779 -0.190975
C 2.810414 -2.442841 -0.657910
C -1.843187 1.200071 -0.171943
C 0.175430 3.100719 -0.007832
C -1.082087 -1.107008 -0.250500
C 2.434727 2.206041 0.048123
C -3.146500 0.756797 0.111038
C 0.657329 4.349526 0.429852
C -2.399532 -1.534843 -0.006494
C -3.458243 -0.622056 0.187966
C 2.923651 3.469409 0.444582
C 4.457372 -4.243115 -0.462964
C 3.000831 -3.737227 1.435878
C 2.039375 4.548601 0.649341
C -5.574870 -1.569778 -0.579404
H 0.992614 -0.946932 -1.813642
H 2.297202 0.241716 -1.701340
H 1.492351 -1.418771 0.766800
H 3.043619 -0.617753 0.476790
H 3.410722 -2.156178 -1.545014
H 1.966226 -3.084247 -1.036801
H -0.307320 -1.867568 -0.352765
H 3.144832 1.384623 -0.064969
H -3.958409 1.474257 0.265149
H -0.050603 5.172329 0.577375
H 3.999181 3.597616 0.607406
H 5.036180 -3.789022 -1.287167
H 3.805902 -5.044483 -0.896799
H 5.170793 -4.723974 0.229802
H 3.725371 -4.269569 2.077000
H 2.181550 -4.453684 1.169458
H 2.562701 -2.921285 2.034587
H 2.410042 5.526667 0.971240
H -5.692857 -0.828131 -1.392989
H -6.554131 -1.799984 -0.133759
H -5.115167 -2.494194 -0.973799


