%chk=000073236.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073236

0 1
 S    2.051500       1.265900     -0.2943000    
 O   -2.324300     -0.1831000     -0.5625000    
 N   0.6431000     -0.8262000      0.2730000    
 N    2.927700      -1.242200     -0.1723000    
 N   -3.719200     -0.3986000     -0.2179000    
 C  -0.1976000      0.2686000      0.3196000    
 C   -1.618200      4.7800001E-02  0.6557000    
 C   0.3841000       1.487400      4.0100001E-02
 C    1.853000     -0.4197000     -4.1400000E-02
 H   -1.719300     -0.8234000       1.314700    
 H   -2.033300      0.9250000       1.167300    
 H  -7.2300002E-02   2.467000      1.6300000E-02
 H    3.846300     -0.8868000     -0.4160000    
 H    2.854000      -2.244200     -3.0800000E-02
 H   -3.885200      -1.299100     -0.6646000    
 H   -4.167200      0.3039000     -0.8043000    


%chk=000073236-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000073236

0 1
S 2.198249 1.379119 -0.204030
O -2.328122 -0.168346 -0.615281
N 0.645256 -0.776191 0.224351
N 2.929775 -1.339174 -0.232080
N -3.737356 -0.552341 -0.266553
C -0.181559 0.359439 0.343309
C -1.638164 0.180095 0.658022
C 0.440856 1.581226 0.159636
C 1.894587 -0.449917 -0.056927
H -1.781086 -0.644383 1.379640
H -2.078243 1.107082 1.072358
H 0.006615 2.577603 0.195506
H 3.872902 -1.032486 -0.447236
H 2.723669 -2.332678 -0.157949
H -3.826245 -1.522725 -0.619415
H -4.318033 0.075977 -0.850750


