%chk=000100512.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100512

0 1
 S  -0.1293000     -0.8108000       1.469100    
 O   -3.688200      -1.776200     -0.8735000    
 O   -1.957100      -2.331500      0.3571000    
 N  -0.8571000       1.638300      0.7506000    
 N    1.458500     -0.6747000     -0.6731000    
 N    2.431200     -5.2099999E-02   1.441900    
 N   -2.671200      -1.469100     -0.2074000    
 C   -2.315700     -9.7599998E-02 -8.8600002E-02
 C   -1.211700      0.3396000      0.6254000    
 C    3.758900      2.4800001E-02 -0.5644000    
 C   -3.106600      0.8595000     -0.7145000    
 C    1.424400     -0.4749000      0.6566000    
 C    2.647600     -0.4137000      -1.254800    
 C    3.590500      0.1897000      0.7954000    
 C   -2.774100       2.205500     -0.6088000    
 C    5.049500      0.3035000      -1.239600    
 C   -1.649600       2.539700      0.1285000    
 H   -3.988900      0.5986000      -1.293100    
 H    2.673600     -0.5733000      -2.328100    
 H    4.402000      0.5326000       1.429500    
 H   -3.375600       2.969300      -1.088200    
 H    5.090800       1.349600      -1.558800    
 H    5.894600      0.1081000     -0.5708000    
 H    5.180700     -0.3359000      -2.119200    
 H   -1.347100       3.575500      0.2414000    


%chk=000100512-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100512

0 1
S -0.204142 -1.676081 0.283379
O -4.693696 -1.246762 0.542474
O -2.753365 -2.446689 0.690775
N -0.524116 0.949884 -0.371352
N 1.921646 -0.971099 -1.321369
N 2.097788 -0.354614 1.020431
N -3.406829 -1.350092 0.462055
C -2.627244 -0.162473 0.090311
C -1.201679 -0.182771 -0.021809
C 3.908579 0.215450 -0.524231
C -3.336763 1.035306 -0.161811
C 1.455677 -0.886740 -0.049770
C 3.148810 -0.413942 -1.544070
C 3.322795 0.194758 0.767841
C -2.622299 2.190000 -0.519851
C 5.247568 0.862014 -0.795688
C -1.211259 2.093181 -0.611115
H -4.426004 1.020203 -0.068501
H 3.529051 -0.484287 -2.570391
H 3.844810 0.622194 1.632464
H -3.131483 3.135481 -0.723128
H 5.122087 1.925031 -1.076608
H 5.898626 0.831387 0.095123
H 5.776109 0.362174 -1.625881
H -0.604567 2.962987 -0.886679


