%chk=000125693.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125693

0 1
 S   -1.373800      -1.279100      0.8618000    
 P    1.046600     -3.7000000E-03  0.5334000    
 O  -0.5312000     -6.1600000E-02  0.1633000    
 O    1.603400       1.165800     -0.4335000    
 O    1.625000      -1.349400     -0.1517000    
 O  -0.9019000      -2.545100      0.3212000    
 O   -1.386400      -1.041500       2.298700    
 O    1.368900      0.1652000       1.991700    
 C   -3.004700      -1.068800      0.2755000    
 C   -3.408300      -1.697600     -0.9025000    
 C   -3.904200     -0.2722000      0.9842000    
 C   -5.610300     -0.7333000     -0.6632000    
 C   -4.711100      -1.529800      -1.371800    
 C   -5.207000     -0.1045000      0.5148000    
 C   -7.003600     -0.5540000      -1.164500    
 C    1.272900       2.490000     -0.3357000    
 C    2.950900      -1.680200     -0.2280000    
 C   0.3934000       2.910400      0.6568000    
 C    3.907300     -0.8253000      0.3102000    
 C    1.818900       3.405000      -1.230000    
 C    3.330800      -2.868300     -0.8435000    
 C   5.6000002E-02   4.260300      0.7559000    
 C    5.258600      -1.162200      0.2318000    
 C    1.481600       4.754900      -1.130800    
 C    4.682200      -3.205100     -0.9219000    
 C   0.6002000       5.182400     -0.1379000    
 C    5.646000      -2.352100     -0.3842000    
 H   -2.723800      -2.316200      -1.476100    
 H   -3.610000      0.2329000       1.899800    
 H   -5.013600      -2.024800      -2.290800    
 H   -5.898700      0.5184000       1.075800    
 H   -7.399800      0.4288000     -0.8872000    
 H   -7.042000     -0.6178000      -2.257300    
 H   -7.656000      -1.326400     -0.7450000    
 H  -5.6899998E-02   2.231200       1.371400    
 H    3.656600      0.1098000      0.7969000    
 H    2.505800       3.076400      -2.004900    
 H    2.583300      -3.535500      -1.263500    
 H  -0.6310000       4.593600       1.528300    
 H    6.009600     -0.4983000      0.6498000    
 H    1.905300       5.473100      -1.826700    
 H    4.984000      -4.131600      -1.401600    
 H   0.3375000       6.233500     -6.0800001E-02
 H    6.698200      -2.614400     -0.4454000    


%chk=000125693-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125693

0 1
S -1.703505 -1.616562 1.535355
P 1.019312 0.036124 0.697553
O -0.652734 -0.268425 0.544184
O 1.221301 1.230903 -0.558525
O 1.669822 -1.334907 -0.123725
O -1.112983 -3.080964 1.201353
O -1.889107 -1.113585 3.057270
O 1.607039 0.390476 2.128949
C -3.240237 -1.263427 0.532945
C -3.443500 -1.998614 -0.645493
C -4.123339 -0.284029 1.014145
C -5.560416 -0.761866 -0.934825
C -4.623394 -1.735954 -1.373607
C -5.293034 -0.044525 0.262438
C -6.836111 -0.511713 -1.715420
C 1.050743 2.633124 -0.372724
C 3.067871 -1.641154 -0.168315
C 1.451510 3.306625 0.804559
C 3.906869 -1.529391 0.962425
C 0.516191 3.325860 -1.481210
C 3.538594 -2.137976 -1.401182
C 1.302658 4.710813 0.857915
C 5.258172 -1.924697 0.836113
C 0.388929 4.729874 -1.412845
C 4.888727 -2.538906 -1.503438
C 0.777214 5.426262 -0.243377
C 5.752899 -2.430018 -0.388336
H -2.717178 -2.747775 -0.975061
H -3.910465 0.260915 1.938868
H -4.814839 -2.293298 -2.297179
H -6.004270 0.712870 0.609955
H -7.180959 0.530887 -1.607520
H -6.703286 -0.721583 -2.790515
H -7.651122 -1.166662 -1.350963
H 1.860727 2.747513 1.651747
H 3.516362 -1.145037 1.909726
H 0.217886 2.760405 -2.368730
H 2.849909 -2.205479 -2.248168
H 1.606452 5.245008 1.764755
H 5.921210 -1.842024 1.704223
H -0.017786 5.276611 -2.270569
H 5.263765 -2.930337 -2.455345
H 0.672216 6.515198 -0.191833
H 6.800589 -2.737659 -0.472772


