%chk=000178392.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178392

0 1
 S    2.594600       2.073300      1.8999999E-02
 O    3.129100       1.973700      -1.521700    
 O    2.261500       3.467100      0.2662000    
 O    3.536700       1.369500      0.8729000    
 C  -9.5899999E-02 -0.9398000     -6.0699999E-02
 C   -1.302000     -0.2554000      8.9699998E-02
 C    1.107700     -0.2351000     -8.3400004E-02
 C   -1.304600       1.133500      0.2175000    
 C  -9.4499998E-02  -2.429900     -0.1960000    
 C    1.105200       1.153900      4.4399999E-02
 C   -2.594300      -1.008700      0.1143000    
 C    2.398000     -0.9755000     -0.2435000    
 C  -0.1010000       1.838200      0.1949000    
 C   -2.582400       1.890300      0.3781000    
 C  -0.1972000      -2.876200      -1.659300    
 C   -2.990100      -1.428800       1.534800    
 C    2.996800      -1.389100       1.106000    
 C   -3.179200       2.311600     -0.9710000    
 C  -0.1620000      -4.390400      -1.791500    
 C   -4.320300      -2.164700       1.556200    
 C    4.290400      -2.169300      0.9344000    
 C   -4.496400       3.051800     -0.8014000    
 H   0.7901000      -2.880800      0.2634000    
 H  -0.9016000      -2.890400      0.3823000    
 H   -3.405400     -0.4226000     -0.3302000    
 H   -2.567500      -1.888200     -0.5362000    
 H    2.276800      -1.863300     -0.8724000    
 H    3.128800     -0.4056000     -0.8244000    
 H  -0.1236000       2.920300      0.2902000    
 H   -3.319300       1.340800      0.9717000    
 H   -2.388500       2.793700      0.9735000    
 H   0.6215000      -2.453000      -2.252400    
 H   -1.121900      -2.503700      -2.114400    
 H   -3.063000     -0.5530000       2.189800    
 H   -2.222400      -2.073500       1.977500    
 H    2.289500      -2.046900       1.627100    
 H    3.150800     -0.5694000       1.807500    
 H   -3.341700       1.440100      -1.615200    
 H   -2.472500       2.961400      -1.502000    
 H   0.7734000      -4.796600      -1.393700    
 H  -0.9953000      -4.850100      -1.250600    
 H  -0.2382000      -4.681400      -2.843800    
 H   -5.124700      -1.531500       1.168200    
 H   -4.274200      -3.074300      0.9491000    
 H   -4.578600      -2.452300       2.580200    
 H    4.672400      -2.490500       1.908600    
 H    5.056900      -1.551900      0.4555000    
 H    4.133300      -3.062800      0.3218000    
 H   -5.241200       2.417200     -0.3107000    
 H   -4.363300       3.955700     -0.1986000    
 H   -4.893100       3.349300      -1.777100    
 H    2.526000       2.351900      -2.204000    


%chk=000178392-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178392

0 1
S 2.553446 2.243010 0.031345
O 3.000499 1.988700 -1.765410
O 2.091738 3.781553 0.236660
O 3.792295 1.691901 0.918384
C -0.112836 -0.986596 -0.051043
C -1.358450 -0.296415 0.105540
C 1.130044 -0.269984 -0.085549
C -1.387571 1.127412 0.231889
C -0.095379 -2.501700 -0.239961
C 1.025431 1.131277 0.038874
C -2.667678 -1.075439 0.187574
C 2.467457 -0.985244 -0.225548
C -0.171022 1.841473 0.191820
C -2.678372 1.928206 0.354499
C -0.233958 -2.919344 -1.732920
C -3.036793 -1.466138 1.648847
C 3.043375 -1.473419 1.135792
C -3.265920 2.330892 -1.029100
C -0.210285 -4.451219 -1.917597
C -4.372864 -2.233187 1.731831
C 4.375379 -2.229120 0.949678
C -4.564941 3.153034 -0.896167
H 0.839905 -2.932097 0.158674
H -0.911225 -2.973981 0.336873
H -3.496310 -0.477774 -0.233562
H -2.620128 -1.995470 -0.422112
H 2.357270 -1.852334 -0.901884
H 3.210353 -0.319672 -0.699174
H -0.154163 2.932913 0.278063
H -3.446162 1.369137 0.920904
H -2.481176 2.853647 0.928941
H 0.584276 -2.455991 -2.318170
H -1.175304 -2.504606 -2.144402
H -3.089841 -0.548849 2.267666
H -2.221422 -2.078897 2.081084
H 2.305773 -2.124808 1.645578
H 3.204494 -0.593450 1.784235
H -3.455592 1.419048 -1.629567
H -2.505218 2.913362 -1.584230
H 0.738702 -4.883071 -1.547548
H -1.036495 -4.933697 -1.361636
H -0.313420 -4.727704 -2.982555
H -5.206555 -1.625797 1.331549
H -4.332513 -3.171761 1.147241
H -4.618718 -2.496906 2.776414
H 4.776343 -2.573181 1.920294
H 5.134467 -1.572938 0.485391
H 4.249621 -3.116844 0.300167
H -5.350811 2.577772 -0.370948
H -4.389559 4.082390 -0.322414
H -4.960942 3.438405 -1.887578
H 3.824354 2.532099 -1.936130


