%chk=000104189.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104189

0 1
 S    2.330300     -0.1597000      0.5021000    
 O    3.001700      0.9196000       1.212400    
 O    2.447800      -1.527700      0.9884000    
 O   -3.380000       1.256900      7.8199998E-02
 O    5.162000      0.4588000     -0.5434000    
 O   -2.229700      -2.654200     -6.5700002E-02
 O   -3.839200      -1.162200     -0.1162000    
 N   -2.625900      -1.465100     -2.6900001E-02
 C   0.6385000      0.2516000      0.3732000    
 C    2.915200     -0.1552000      -1.177600    
 C  -0.3154000     -0.7553000      0.2244000    
 C   0.2405000       1.587700      0.4216000    
 C    4.390100     -0.4973000      -1.258700    
 C   -1.667100     -0.4259000      0.1239000    
 C   -2.064900      0.9102000      0.1724000    
 C   -1.111200       1.917000      0.3213000    
 C   -3.893000       1.500500      -1.229600    
 H    2.321600     -0.8793000      -1.743000    
 H    2.736300      0.8517000      -1.568800    
 H   1.2700000E-02  -1.790700      0.1814000    
 H   0.9665000       2.388600      0.5303000    
 H    4.588400      -1.485800     -0.8325000    
 H    4.719100     -0.4940000      -2.302500    
 H   -1.413600       2.960100      0.3592000    
 H    6.094100      0.1963000     -0.6313000    
 H   -3.610900       2.508200      -1.550200    
 H   -4.984100       1.441000      -1.188600    
 H   -3.526300      0.7703000      -1.958800    


%chk=000104189-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104189

0 1
S 2.664948 0.489700 0.792169
O 3.111049 1.722125 1.766277
O 2.844129 -1.098249 1.218096
O -3.210833 1.426020 -0.387315
O 4.380528 -1.664470 -1.050867
O -1.542258 -2.510750 -0.756658
O -3.284051 -1.519312 0.340669
N -2.106058 -1.494057 -0.195493
C 0.828502 0.715757 0.417875
C 3.598642 0.685234 -0.915322
C 0.063075 -0.411479 0.129047
C 0.274273 2.008132 0.542531
C 3.561924 -0.643130 -1.680098
C -1.327691 -0.244810 -0.085247
C -1.920019 1.059956 -0.071225
C -1.093110 2.166794 0.285609
C -4.087773 0.622260 -1.266164
H 3.086855 1.526206 -1.412425
H 4.615623 0.957924 -0.589511
H 0.499449 -1.416018 0.129902
H 0.901695 2.853104 0.844750
H 2.513012 -0.979540 -1.836600
H 4.005711 -0.468232 -2.677413
H -1.570121 3.149859 0.327843
H 4.003917 -1.822610 -0.134142
H -3.500022 0.129225 -2.062324
H -4.778078 1.358838 -1.702269
H -4.629816 -0.132380 -0.676695


