%chk=000056943.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056943

0 1
 S    3.080200       1.327600      0.1475000    
 O   -1.990600      6.4300001E-02  0.5941000    
 O   -1.182400      0.6451000      -1.534300    
 O   -4.140700      -1.726700       1.173700    
 C   -1.108200      0.9382000     -0.1292000    
 C   0.3155000      0.7037000      0.3596000    
 C   -2.803600     -0.5434000     -0.4136000    
 C   -1.881600     -0.5983000      -1.607200    
 C    1.361500       1.527200     -0.4164000    
 C   -1.538300       2.383100      9.0099998E-02
 C   0.4122000      0.9125000       1.874700    
 C   -3.295700      -1.899100      4.5899998E-02
 C    3.268700     -0.4320000     -0.2164000    
 C    4.665500     -0.9098000      0.1646000    
 C    4.837500      -2.392100     -0.1329000    
 H   0.5213000     -0.3592000      0.1795000    
 H   -3.646500      0.1356000     -0.5930000    
 H   -1.145600      -1.406600      -1.531500    
 H   -2.412200     -0.6831000      -2.559200    
 H    1.326000       1.292200      -1.485600    
 H    1.152900       2.596500     -0.3202000    
 H   -2.575600       2.511300     -0.2444000    
 H   -1.526400       2.671500       1.145100    
 H  -0.9484000       3.094200     -0.4947000    
 H   0.4060000       1.974800       2.139800    
 H  -0.4058000      0.4241000       2.413800    
 H    1.335300      0.4811000       2.275800    
 H   -2.467300      -2.548000      0.3485000    
 H   -3.868400      -2.399900     -0.7402000    
 H    3.089800     -0.6010000      -1.283400    
 H    2.540500      -1.012100      0.3562000    
 H    5.426200     -0.3492000     -0.3922000    
 H    4.849500     -0.7421000       1.232800    
 H   -3.622900      -1.272900       1.860600    
 H    4.694300      -2.597700      -1.198600    
 H    5.844700      -2.719600      0.1436000    
 H    4.118100      -2.992500      0.4331000    


%chk=000056943-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056943

0 1
S 3.040776 1.033248 0.742257
O -2.220835 0.294899 0.474238
O -0.939524 0.567155 -1.501491
O -4.079303 -1.766275 1.212144
C -1.127852 1.116843 -0.131220
C 0.161430 0.888353 0.712106
C -2.665426 -0.721592 -0.523020
C -1.467521 -0.810696 -1.486733
C 1.366694 1.616901 0.073381
C -1.587723 2.564993 -0.280215
C -0.028774 1.275142 2.194089
C -2.992696 -1.995743 0.259431
C 3.221376 -0.575026 -0.250402
C 4.599079 -1.201524 0.028177
C 4.790423 -2.530921 -0.737190
H 0.354716 -0.203303 0.663861
H -3.571336 -0.340095 -1.033328
H -0.704528 -1.527493 -1.116734
H -1.746657 -1.058126 -2.522249
H 1.382118 1.470997 -1.020454
H 1.344134 2.699921 0.288079
H -2.524291 2.594450 -0.860093
H -1.769034 3.017673 0.708322
H -0.827330 3.161077 -0.813151
H -0.181151 2.364495 2.311683
H -0.897822 0.752987 2.628664
H 0.875475 0.999383 2.764842
H -2.073707 -2.350219 0.774025
H -3.360355 -2.786668 -0.417036
H 3.107213 -0.323678 -1.320690
H 2.411271 -1.266337 0.045010
H 5.391088 -0.484153 -0.260334
H 4.709604 -1.378310 1.115759
H -3.827283 -0.981139 1.764196
H 4.707100 -2.379328 -1.829700
H 5.786285 -2.963242 -0.531067
H 4.029866 -3.276949 -0.439157


