%chk=000003544.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003544

0 1
 S    1.220800      0.6091000       1.465500    
 O    2.048400       1.804300       1.480800    
 O   0.6652000      0.1003000       2.708600    
 N    2.075700     -0.6465000      0.6873000    
 N   -3.273500      -1.872800     -0.1794000    
 N    4.402500      -1.125000      -2.186800    
 C  -0.1207000      0.8789000      0.3634000    
 C   -1.161900     -4.8400000E-02  0.1951000    
 C   -2.201900      0.2446000     -0.7112000    
 C    2.614800     -0.4419000     -0.6649000    
 C  -0.1123000       2.075600     -0.3554000    
 C   -2.183400       1.451700      -1.429200    
 C    3.847400      -1.314300     -0.8526000    
 C   -1.198900      -1.256500      0.9009000    
 C   -1.141400       2.361300      -1.249700    
 C   -3.219500     -0.7011000     -0.8518000    
 C   -2.261400      -2.119300      0.6794000    
 H    1.856400      -1.617400      0.9423000    
 H    2.876700      0.6115000     -0.8126000    
 H    1.843800     -0.7125000      -1.395100    
 H   0.6816000       2.808600     -0.2486000    
 H   -2.978600       1.690400      -2.131600    
 H    3.588900      -2.370300     -0.7163000    
 H    4.606300      -1.066300     -0.1016000    
 H  -0.4388000      -1.593100       1.591300    
 H   -1.132500       3.292400      -1.808900    
 H   -4.050200     -0.5376000      -1.533000    
 H   -2.321900      -3.069100       1.201100    
 H    5.254800      -1.676100      -2.279700    
 H    4.677500     -0.1513000      -2.309900    


%chk=000003544-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003544

0 1
S 1.274364 0.506632 1.407316
O 2.183237 1.850430 1.312006
O 0.805492 -0.143635 2.820898
N 2.261268 -0.792171 0.586582
N -3.639332 -1.794469 -0.068407
N 4.866339 -0.933723 -2.120968
C -0.264688 0.849855 0.313702
C -1.358416 -0.071443 0.256968
C -2.422002 0.256570 -0.675397
C 2.906105 -0.455666 -0.697079
C -0.205910 2.021168 -0.432198
C -2.358228 1.458090 -1.451645
C 4.224418 -1.266150 -0.843879
C -1.500380 -1.272295 1.029179
C -1.277218 2.332517 -1.327242
C -3.525569 -0.658695 -0.780111
C -2.624081 -2.078007 0.833104
H 1.766371 -1.694039 0.656705
H 3.156299 0.621408 -0.666429
H 2.266837 -0.641881 -1.583816
H 0.654845 2.689070 -0.317094
H -3.178226 1.683199 -2.143480
H 3.987655 -2.346870 -0.842849
H 4.845253 -1.069722 0.056185
H -0.765734 -1.525926 1.799320
H -1.234557 3.256523 -1.911972
H -4.341941 -0.437522 -1.480227
H -2.761277 -2.997013 1.411913
H 5.354985 -1.692698 -2.595448
H 5.367990 -0.044339 -2.148236


