%chk=000081832.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081832

0 1
 S    2.950800      0.1053000     -4.4100001E-02
 O    3.853100      -1.059200      0.6561000    
 O    3.076800       1.324400      0.7338000    
 O    3.197200      8.8699996E-02  -1.474500    
 O   -3.585300      -1.286300     -6.2199999E-02
 N   -1.056800     -0.2686000      0.1192000    
 N   -4.475300      0.8094000      0.2439000    
 C   0.2471000      0.3376000     -0.1208000    
 C    1.368200     -0.6117000      0.2683000    
 C   -2.129300      0.6258000     -0.2935000    
 C   -3.446600     -6.5399997E-02 -2.6300000E-02
 H   0.3382000       1.270200      0.4495000    
 H   0.3483000      0.5955000      -1.182300    
 H    1.312400      -1.547800     -0.2974000    
 H    1.319100     -0.8410000       1.338400    
 H   -1.150600     -0.4842000       1.111700    
 H   -2.084200       1.570000      0.2611000    
 H   -2.079000      0.8396000      -1.366900    
 H    3.815000      -1.091100       1.641000    
 H   -5.411500      0.4690000      0.4365000    
 H   -4.345800       1.816000      0.2577000    


%chk=000081832-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081832

0 1
S 2.920998 0.058468 0.019020
O 3.509923 -1.688699 -0.348356
O 3.645188 0.618894 1.356132
O 2.970694 0.954534 -1.331203
O -3.736216 0.559749 1.526163
N -1.121273 0.304396 0.912982
N -4.453792 0.239571 -0.660026
C 0.256926 0.746598 0.785137
C 1.107990 -0.484923 0.397569
C -2.022405 0.385417 -0.226817
C -3.474864 0.399341 0.297669
H 0.618096 1.153650 1.746122
H 0.376180 1.543016 0.017914
H 0.790636 -0.962833 -0.541615
H 1.214619 -1.218352 1.209802
H -1.600454 0.426600 1.811758
H -1.860696 1.317575 -0.820591
H -1.902530 -0.465212 -0.932487
H 4.486872 -1.646520 -0.558379
H -5.430766 0.269425 -0.368947
H -4.233326 0.085503 -1.642647


