%chk=000178015.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178015

0 1
 S   -1.047000      0.8987000       1.720800    
 O   -3.181200     -0.6270000      -1.122300    
 N   -1.184400      -1.081000     -3.5999999E-03
 N    2.316500       1.126800      -1.158400    
 C  -0.2644000     -0.5678000       1.002100    
 C   -2.411700      0.9333000      0.5344000    
 C   -2.322600     -0.3339000     -0.2933000    
 C    1.056600     -0.1980000      0.4194000    
 C   -2.308900       2.160600     -0.3572000    
 C  -0.9130000      -2.362100     -0.6377000    
 C    2.227300     -0.7939000      0.8706000    
 C    1.151600      0.7473000     -0.5869000    
 C    3.445300     -0.4296000      0.3073000    
 C    3.435900      0.5267000     -0.6952000    
 H  -0.1675000      -1.325800       1.787000    
 H   -3.355700      0.9312000       1.087700    
 H   -2.187400       3.080300      0.2253000    
 H   -1.512800       2.104300      -1.099900    
 H   -3.237600       2.268500     -0.9310000    
 H   1.4700000E-02  -2.292800      -1.211700    
 H   -1.726400      -2.643600      -1.311400    
 H  -0.8107000      -3.125200      0.1389000    
 H    2.206300      -1.542100       1.657900    
 H   0.2913000       1.231300      -1.019400    
 H    4.372600     -0.8804000      0.6421000    
 H    4.359500      0.8454000      -1.167100    


%chk=000178015-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178015

0 1
S -0.926843 1.072418 1.685094
O -3.254018 -0.597351 -1.107381
N -1.173901 -0.969187 -0.092061
N 2.603653 0.673037 -1.421843
C -0.192488 -0.536449 0.907906
C -2.496271 0.975771 0.617981
C -2.357893 -0.264848 -0.279247
C 1.192680 -0.277760 0.347194
C -2.730671 2.255367 -0.203489
C -0.931085 -2.221778 -0.824927
C 2.345286 -0.686313 1.058096
C 1.380866 0.396891 -0.887973
C 3.622800 -0.400613 0.526140
C 3.704141 0.278146 -0.710233
H -0.130251 -1.279109 1.727256
H -3.347506 0.798326 1.298127
H -2.894691 3.122763 0.458582
H -1.865144 2.472770 -0.852389
H -3.625374 2.118545 -0.837221
H -0.014352 -2.152039 -1.436584
H -1.799779 -2.388613 -1.482642
H -0.831945 -3.072284 -0.124249
H 2.244762 -1.216105 2.013366
H 0.515278 0.728299 -1.474000
H 4.535015 -0.698223 1.052277
H 4.674031 0.519540 -1.159381


