%chk=000054674.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054674

0 1
 S   -3.121600       1.082700      0.6678000    
 O   -4.539600       1.228900      0.3346000    
 O   -2.691500       1.057800       2.065400    
 N   -2.654000     -0.3856000      3.6100000E-02
 N   -2.786100      -2.366100     -0.9640000    
 N   -4.784000      -1.060100     -0.7107000    
 C   -2.277100       2.450600     -0.1227000    
 C   -1.376300     -0.8835000      3.9999999E-02
 C   -1.484900      -2.120300     -0.5897000    
 C   -3.459100      -1.306900     -0.5740000    
 C   -2.731500       3.770900      0.4818000    
 C   -2.511900       2.417300      -1.625700    
 C  -0.1716000     -0.3737000      0.5254000    
 C   0.9643000      -1.171900      0.3538000    
 C  -0.3336000      -2.908900     -0.7536000    
 C   0.8870000      -2.417200     -0.2740000    
 C    2.250600     -0.6932000      0.8397000    
 C    3.186100      0.1223000     -2.6000000E-03
 C    2.671000     -0.9578000       2.109900    
 C    3.066400       1.489600      2.7200000E-02
 C    4.119300     -0.5357000     -0.7647000    
 C    3.955400     -0.5250000       2.748300    
 C    3.936200       2.248100     -0.7563000    
 C    4.989100      0.2230000      -1.548000    
 C    4.897500       1.614800      -1.543800    
 H   -1.209200       2.328200      7.8100003E-02
 H   -2.543900       3.795400       1.560400    
 H   -3.803500       3.935300      0.3292000    
 H   -2.193300       4.610500      2.9899999E-02
 H   -2.151500       1.481400      -2.064400    
 H   -3.575100       2.511300      -1.871600    
 H   -1.980000       3.238500      -2.117700    
 H  -0.1152000      0.5866000       1.024900    
 H  -0.3834000      -3.877900      -1.239900    
 H    1.777900      -3.029300     -0.4008000    
 H   -5.391200      -1.735800      -1.164300    
 H   -5.251100     -0.2262000     -0.3772000    
 H    2.019500      -1.544100       2.757100    
 H    2.321200       1.991300      0.6372000    
 H    4.198500      -1.618700     -0.7736000    
 H    3.733800      8.3899997E-02   3.630800    
 H    4.509200      -1.409000       3.081000    
 H    4.619700      5.5399999E-02   2.105600    
 H    3.864900       3.331900     -0.7530000    
 H    5.737800     -0.2700000      -2.161100    
 H    5.574800       2.205400      -2.153700    


%chk=000054674-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054674

0 1
S -2.792409 1.569179 0.313681
O -4.395931 1.799408 0.099033
O -2.078072 2.099984 1.665194
N -2.566736 -0.273506 0.137046
N -2.994838 -2.497661 -0.195880
N -4.861157 -0.961841 -0.346276
C -1.791001 2.248271 -1.294611
C -1.315547 -0.933285 0.307289
C -1.615602 -2.314578 0.076961
C -3.545556 -1.273850 -0.142606
C -1.624568 3.748653 -1.072647
C -2.595396 1.811644 -2.511840
C -0.033334 -0.466807 0.624080
C 1.020732 -1.423249 0.688597
C -0.569716 -3.258969 0.137116
C 0.731896 -2.800326 0.430513
C 2.406393 -0.973064 1.036331
C 2.829642 0.377827 0.537624
C 3.233907 -1.776104 1.781312
C 3.387121 1.350747 1.410703
C 2.659500 0.724396 -0.832504
C 4.685070 -1.542774 2.131949
C 3.774316 2.622368 0.931253
C 3.053762 1.990897 -1.316175
C 3.613491 2.947666 -0.435209
H -0.845371 1.691206 -1.171913
H -1.135184 3.966714 -0.108452
H -2.593660 4.275802 -1.113415
H -0.981144 4.148285 -1.879475
H -2.700784 0.715007 -2.571199
H -3.599063 2.270189 -2.514991
H -2.059630 2.148035 -3.419968
H 0.164071 0.581990 0.867684
H -0.770968 -4.316778 -0.057058
H 1.558863 -3.518376 0.438936
H -5.506755 -1.726927 -0.519428
H -5.179418 0.003079 -0.212789
H 2.809149 -2.716451 2.162056
H 3.490800 1.113517 2.475376
H 2.229582 -0.015346 -1.517742
H 4.814194 -1.359874 3.217926
H 5.283237 -2.444378 1.894894
H 5.118313 -0.686880 1.589177
H 4.194219 3.359551 1.625003
H 2.935335 2.228871 -2.379913
H 3.918249 3.931941 -0.808542


