%chk=000100319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100319

0 1
 S  -0.1067000     -0.8876000      -1.168900    
 O   -4.987100     -0.3083000     -0.6822000    
 O    3.680400      -1.891300      0.7641000    
 O    1.755200      -2.428100     -0.1439000    
 N   -2.686700     -0.5357000     -0.8146000    
 N   0.8831000       1.554400     -0.8527000    
 N   -1.281500      0.1928000      0.9487000    
 N    2.600900      -1.573100      0.2112000    
 C    1.157100      0.2467000     -0.6261000    
 C    2.326300     -0.1974000     -2.0099999E-02
 C   -1.461000     -0.3422000     -0.2164000    
 C    3.263200      0.7515000      0.3738000    
 C    3.011500       2.101400      0.1552000    
 C   -3.868100     -0.1630000     -0.2026000    
 C    1.817300       2.447700     -0.4562000    
 C   -3.676500      0.4512000       1.132500    
 C   -2.427500      0.5809000       1.598100    
 H    4.200300      0.4811000      0.8535000    
 H   -2.723900     -0.9654000      -1.733800    
 H    3.727100       2.859000      0.4539000    
 H    1.572900       3.487100     -0.6491000    
 H   -4.543200      0.7774000       1.693100    
 H   -2.270700       1.029200       2.574000    


%chk=000100319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100319

0 1
S -0.013234 -1.593285 0.263726
O -4.137998 0.756049 -1.629553
O 4.476744 -1.732704 -0.108978
O 2.409740 -2.704670 -0.018327
N -2.288051 -0.258908 -0.597367
N 0.577776 1.060248 0.003236
N -1.914378 -0.242241 1.754954
N 3.188771 -1.668682 -0.066198
C 1.136238 -0.179533 0.040784
C 2.547820 -0.344810 -0.075895
C -1.551739 -0.558698 0.526397
C 3.377764 0.793191 -0.207732
C 2.786842 2.067887 -0.233538
C -3.525894 0.485886 -0.559140
C 1.376350 2.149637 -0.131104
C -3.908080 0.836620 0.807977
C -3.113067 0.471935 1.880452
H 4.457895 0.642304 -0.286173
H -1.947367 -0.524318 -1.528590
H 3.390833 2.972966 -0.334551
H 0.861479 3.115757 -0.158494
H -4.837403 1.395040 0.941831
H -3.388644 0.728630 2.907782


