%chk=000066546.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066546

0 1
 S   -2.614100      -3.411300      4.7300000E-02
 S   -2.172900       3.412800     -4.3099999E-02
 O   -3.486000      -3.588300      -1.320800    
 O   -1.739100       3.579800      -1.607500    
 O   -1.514700      -4.357900     -1.6400000E-02
 O   -3.528100      -3.397700       1.174600    
 O   -3.244800       4.359000      0.2106000    
 O  -0.9695000       3.407200      0.7680000    
 N    1.447300     -0.3936000     -0.5689000    
 N    2.043500     -0.3654000      0.5333000    
 N    7.578000     -0.1085000     -0.2849000    
 C   -2.078300      0.6324000     -4.7200002E-02
 C   -2.707300     -0.6316000      5.0999999E-02
 C   -1.930000      -1.796000     -6.0699999E-02
 C   -2.855400       1.796800      6.4499997E-02
 C  -0.6907000      0.6947000     -0.2545000    
 C   -4.094900     -0.6939000      0.2584000    
 C  -0.5524000      -1.715300     -0.2664000    
 C   6.6200003E-02 -0.4723000     -0.3631000    
 C   -4.233000       1.716100      0.2709000    
 C   -4.851600      0.4732000      0.3677000    
 C    3.431500     -0.2865000      0.3269000    
 C    4.064400      0.9499000      0.2300000    
 C    5.443100       1.009300      2.6699999E-02
 C    4.167100      -1.464000      0.2219000    
 C    6.183900     -0.1680000     -7.9200000E-02
 C    5.545700      -1.404600      1.8700000E-02
 C    3.292200       2.223600      0.3421000    
 H  -0.1515000       1.624600     -0.3891000    
 H   -4.658800      -1.617500      0.2951000    
 H   6.6000000E-02  -2.603700     -0.3596000    
 H   -4.861100       2.597400      0.3558000    
 H   -5.925900      0.4116000      0.5163000    
 H   -2.971800      -3.535500      -2.160600    
 H    5.944400       1.971500     -5.1100001E-02
 H   -2.476000       3.520800      -2.260000    
 H    3.679000      -2.432100      0.2978000    
 H    6.111800      -2.329100     -6.1900001E-02
 H    2.647500       2.356100     -0.5330000    
 H    2.675800       2.225100       1.247300    
 H    3.952400       3.095600      0.4037000    
 H    8.041400      0.7874000     -0.3566000    
 H    8.115100     -0.9619000     -0.3623000    


%chk=000066546-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000066546

0 1
S -2.986165 -3.695236 -0.021371
S -1.980714 3.320951 0.259907
O -3.677869 -3.496814 -1.736362
O -1.461486 3.291241 -1.525734
O -1.871517 -4.865407 -0.018955
O -4.240310 -3.795328 0.999508
O -3.091139 4.476125 0.479639
O -0.631972 3.348077 1.158117
N 1.421858 -1.030577 -0.073202
N 2.073625 0.117425 -0.072391
N 7.702351 0.040045 -0.066994
C -2.088360 0.426370 0.133266
C -2.884724 -0.801372 0.113248
C -2.128403 -2.013650 0.014936
C -2.842673 1.642347 0.222552
C -0.667911 0.368846 0.064885
C -4.312140 -0.733548 0.187427
C -0.749232 -2.081859 -0.056849
C 0.004060 -0.863388 -0.024449
C -4.226952 1.714238 0.287781
C -4.968215 0.495799 0.274307
C 3.474744 0.032993 -0.082127
C 4.184170 1.287158 -0.082825
C 5.588359 1.264647 -0.076910
C 4.206658 -1.197776 -0.079479
C 6.317660 0.036785 -0.073918
C 5.599391 -1.204080 -0.076521
C 3.433308 2.603435 -0.095341
H -0.064889 1.279483 0.098622
H -4.892810 -1.659745 0.190824
H -0.220348 -3.037683 -0.129045
H -4.727115 2.685903 0.353023
H -6.059847 0.533187 0.331059
H -4.200451 -4.325225 -1.946370
H 6.139489 2.213082 -0.073676
H -0.904922 4.108250 -1.687386
H 3.636720 -2.132055 -0.077358
H 6.153727 -2.150271 -0.073636
H 2.855840 2.715651 -1.030721
H 2.697469 2.654910 0.725247
H 4.128134 3.456047 -0.007984
H 8.224564 0.912681 -0.061109
H 8.226439 -0.831461 -0.061936


