%chk=000035862.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035862

0 1
 S    4.171400       1.732300     -0.2977000    
 O    1.474800      -1.397600       1.530900    
 O   -5.168000     -0.6663000     -0.1363000    
 O   -4.723800       1.381200     -0.8057000    
 N    2.023800      0.1628000     -9.5399998E-02
 N   -4.359800      0.2658000     -0.3623000    
 N    4.436500      -1.760000      -1.551800    
 C  -0.2994000     -0.3678000      0.3949000    
 C    1.143600     -0.5931000      0.6641000    
 C   -1.191300      -1.391200      0.6417000    
 C  -0.7031000      0.8577000     -9.3599997E-02
 C   -2.980200      5.0500002E-02 -0.1054000    
 C    3.469600      8.3300002E-02  5.5199999E-02
 C   -2.546600      -1.179700      0.3888000    
 C   -2.058400       1.069200     -0.3466000    
 C    4.007200     -0.9461000     -0.8444000    
 C    3.303600       2.699200      0.9637000    
 H  -0.8682000      -2.356000       1.021400    
 H  -2.3200000E-02   1.686300     -0.2622000    
 H    3.708300     -0.1810000       1.091000    
 H    1.685900      0.7489000     -0.8509000    
 H   -3.235500      -1.996700      0.5875000    
 H   -2.360900       2.042800     -0.7241000    
 H    3.447500       2.256500       1.952800    
 H    2.236600       2.767100      0.7388000    
 H    3.713300       3.712800      0.9772000    


%chk=000035862-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000035862

0 1
S 4.243117 1.871621 -0.027679
O 1.592265 -0.782134 1.654858
O -5.309363 -0.662243 0.393368
O -4.981212 0.894502 -1.242366
N 2.035209 0.142310 -0.432234
N -4.551015 0.082882 -0.336327
N 4.757105 -1.065740 -2.238231
C -0.310785 -0.154471 0.280690
C 1.162596 -0.289003 0.567113
C -1.191283 -0.945317 1.064002
C -0.842520 0.729417 -0.695826
C -3.080420 0.000605 -0.119441
C 3.477238 0.116457 -0.224455
C -2.582061 -0.877696 0.867089
C -2.232727 0.812682 -0.902025
C 4.186646 -0.539031 -1.332521
C 3.471645 2.295852 1.638747
H -0.759135 -1.601418 1.825326
H -0.191119 1.388190 -1.281039
H 3.655274 -0.422074 0.724196
H 1.685894 0.492269 -1.325566
H -3.278871 -1.481547 1.453762
H -2.667823 1.488902 -1.642099
H 3.732279 1.530923 2.385179
H 2.379039 2.388801 1.547401
H 3.903727 3.266160 1.929676


