%chk=000083306.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083306

0 1
 S   -3.099900     -4.9199998E-02 -0.9620000    
 O    4.058800       1.123700     -0.2526000    
 O    4.081700      -1.071400     -0.2581000    
 N    3.467800      1.9700000E-02 -0.1730000    
 N   -5.741700      6.4800002E-02  0.1001000    
 C  -0.7022000     -2.6000001E-02  0.4023000    
 C  -2.4400000E-02   1.189500      0.3089000    
 C   1.8000000E-03  -1.226200      0.3045000    
 C    2.061100      4.6999999E-03  1.9600000E-02
 C   -2.179300     -4.2100001E-02  0.6066000    
 C    1.357200       1.204900      0.1177000    
 C    1.383400      -1.210900      0.1132000    
 C   -4.664200      1.8300001E-02 -0.3271000    
 H  -0.5612000       2.131800      0.3827000    
 H  -0.5145000      -2.180100      0.3747000    
 H   -2.466000     -0.9229000       1.194300    
 H   -2.480800      0.8315000       1.197800    
 H    1.851900       2.170400      4.9600001E-02
 H    1.898800      -2.165300      4.1600000E-02


%chk=000083306-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083306

0 1
S -3.100140 -0.009271 -0.993706
O 4.117385 1.152797 -0.332324
O 4.126933 -1.128420 -0.344722
N 3.527790 0.009159 -0.238907
N -5.892411 -0.017217 -0.067889
C -0.705976 -0.012820 0.483676
C -0.004248 1.216722 0.364680
C 0.006256 -1.234920 0.351341
C 2.060534 0.001641 0.007551
C -2.188548 -0.020366 0.736868
C 1.383359 1.234073 0.128085
C 1.393971 -1.237772 0.114688
C -4.747477 -0.014867 -0.425978
H -0.548975 2.162390 0.459625
H -0.530360 -2.186194 0.435878
H -2.535082 -0.930209 1.247891
H -2.541591 0.878301 1.262987
H 1.944138 2.167721 0.037180
H 1.962738 -2.165547 0.013875


