%chk=000128894.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128894

0 1
 S    4.613500     -0.7385000       1.268000    
 O    1.336200      0.3957000     -0.6309000    
 O    1.623700     -0.5444000       1.472300    
 O   -4.880500      -1.571700     -0.5237000    
 N   -4.131900      0.5117000      0.2871000    
 C   -2.756400      0.4822000      5.5700000E-02
 C  -5.5999998E-03  0.4243000     -0.4052000    
 C   -2.172100     -0.6365000     -0.5381000    
 C   -1.965300       1.572100      0.4189000    
 C  -0.7967000     -0.6655000     -0.7686000    
 C  -0.5898000       1.543100      0.1884000    
 C    3.539700     -0.1316000      0.1061000    
 C    2.110200     -0.1343000      0.4229000    
 C    4.134200      0.3059000      -1.029700    
 C   -5.079900     -0.4777000     -5.7000001E-03
 C    5.547600      0.1406000     -0.9578000    
 C    5.943100     -0.4168000      0.2381000    
 C   -6.470000     -5.8600001E-02  0.4025000    
 H   -2.718600      -1.516800     -0.8465000    
 H   -2.407000       2.450700      0.8824000    
 H  -0.3467000      -1.539400      -1.232200    
 H   2.0800000E-02   2.395700      0.4731000    
 H   -4.480600       1.362800      0.7234000    
 H    3.618800      0.7261000      -1.883900    
 H    6.239100      0.4165000      -1.743300    
 H    6.949300     -0.6506000      0.5563000    
 H   -6.505000      0.1010000       1.483800    
 H   -7.186500     -0.8402000      0.1349000    
 H   -6.745400      0.8659000     -0.1127000    


%chk=000128894-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128894

0 1
S 5.188203 1.070675 0.862895
O 1.402694 0.086491 -0.163782
O 2.186835 1.566995 1.510852
O -4.985331 -1.098852 -1.311634
N -4.236683 0.386193 0.347246
C -2.821599 0.298757 0.205897
C -0.001715 0.231742 0.044369
C -2.186966 -0.532347 -0.757760
C -2.023747 1.086402 1.076572
C -0.782472 -0.557416 -0.828769
C -0.616848 1.064714 1.009392
C 3.721914 0.357803 0.083265
C 2.401055 0.756489 0.576438
C 4.067037 -0.524765 -0.939868
C -5.229051 -0.279857 -0.376770
C 5.484248 -0.654270 -1.126811
C 6.223169 0.129187 -0.246564
C -6.658234 0.054209 0.047037
H -2.797560 -1.138683 -1.428167
H -2.503648 1.731762 1.823704
H -0.276424 -1.190868 -1.563400
H -0.015796 1.673833 1.684132
H -4.562402 1.022091 1.078382
H 3.313385 -1.053050 -1.526314
H 5.941127 -1.299659 -1.880242
H 7.304975 0.224383 -0.166200
H -7.164135 -0.874688 0.362259
H -7.208095 0.443406 -0.827036
H -6.725733 0.791022 0.866479


