%chk=000059266.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059266

0 1
 S   0.8367000      -2.954000     -0.1952000    
 O    5.158300     -0.3962000      -1.666400    
 C    3.078400      -1.462300     -0.9889000    
 C   -3.112700     -0.6983000      0.9407000    
 C   -2.119800      -1.819500      0.6239000    
 C   -4.295300     -0.7112000     -3.0600000E-02
 C    4.266500     -0.5427000     -0.5539000    
 C  -0.9611000      -1.832300       1.626400    
 C    2.099800      -1.718600      0.1846000    
 C   -5.302000      0.3899000      0.3083000    
 C   1.2500000E-02  -2.993000       1.423600    
 C   -6.524500      0.4030000     -0.6146000    
 C    2.336100     -0.9304000      -2.226600    
 C    5.091300      -1.151000      0.5878000    
 C   -7.577000       1.471100     -0.3089000    
 C    3.807300      0.8039000     -0.1608000    
 C   -8.792400       1.405900      -1.220200    
 C    3.433300       1.900400      0.1570000    
 C    2.992200       3.203000      0.5363000    
 C    2.902700       3.542500       1.994700    
 C    2.669700       4.089700     -0.4172000    
 H    3.520600      -2.423800      -1.289300    
 H   -3.481700     -0.8148000       1.967000    
 H   -2.602300      0.2712000      0.8881000    
 H   -2.637600      -2.786000      0.6521000    
 H   -1.746800      -1.679400     -0.3966000    
 H   -4.794600      -1.686900      9.9999998E-03
 H   -3.933500     -0.5748000      -1.056700    
 H   -1.374000      -1.915600       2.640000    
 H  -0.4294000     -0.8741000       1.592700    
 H    2.646400      -2.089300       1.054900    
 H    1.603600     -0.7847000      0.4654000    
 H   -5.642200      0.2640000       1.343700    
 H   -4.805000       1.366300      0.2553000    
 H  -0.5341000      -3.940100       1.490100    
 H   0.7636000      -3.005700       2.220200    
 H   -6.182800      0.5325000      -1.649500    
 H   -7.004700     -0.5831000     -0.5700000    
 H    1.643900      -1.673600      -2.634200    
 H    3.035800     -0.6835000      -3.031700    
 H    1.760500     -2.8700000E-02  -1.992500    
 H    6.010400     -0.5760000      0.7577000    
 H    4.548900      -1.175600       1.538200    
 H    5.408800      -2.169600      0.3372000    
 H   -7.908800       1.363300      0.7306000    
 H   -7.119000       2.463600     -0.3944000    
 H    5.907000      0.1600000      -1.390200    
 H   -9.297500      0.4392000      -1.128700    
 H   -9.508000       2.191000     -0.9571000    
 H   -8.503000       1.544500      -2.266700    
 H    3.884500       3.445500       2.470400    
 H    2.204900       2.867400       2.501700    
 H    2.553000       4.567300       2.159500    
 H    2.330700       5.089200     -0.1646000    
 H    2.734600       3.843700      -1.472800    


%chk=000059266-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059266

0 1
S 0.845918 -2.948466 -0.284660
O 5.183359 -0.462799 -1.758252
C 3.109116 -1.400430 -0.978953
C -3.249747 -0.810377 0.984623
C -2.276469 -1.983825 0.732535
C -4.487606 -0.842252 0.060245
C 4.322863 -0.506315 -0.536684
C -1.048666 -1.967200 1.668266
C 2.132380 -1.634186 0.193790
C -5.456523 0.340090 0.288783
C -0.040964 -3.098343 1.387286
C -6.695805 0.301231 -0.633477
C 2.391387 -0.805935 -2.211185
C 5.149609 -1.144402 0.610206
C -7.663357 1.486579 -0.411807
C 3.904703 0.865350 -0.162996
C -8.900269 1.435844 -1.334776
C 3.585212 2.023537 0.138851
C 3.228812 3.358301 0.546475
C 3.357461 3.669785 2.032823
C 2.802244 4.287666 -0.361145
H 3.560641 -2.373240 -1.262516
H -3.583257 -0.823556 2.043945
H -2.709910 0.148993 0.840238
H -2.818366 -2.944869 0.860173
H -1.925120 -1.956402 -0.318311
H -5.033195 -1.797225 0.211967
H -4.152124 -0.841986 -0.997855
H -1.390065 -2.060980 2.721706
H -0.537169 -0.986347 1.593359
H 2.649137 -2.021002 1.088656
H 1.603601 -0.699264 0.449678
H -5.788812 0.343551 1.348339
H -4.912317 1.294945 0.131070
H -0.546908 -4.079868 1.345508
H 0.744295 -3.149680 2.163548
H -6.364358 0.293555 -1.693086
H -7.243198 -0.651395 -0.473244
H 1.591761 -1.484414 -2.556017
H 3.109245 -0.650335 -3.031713
H 1.929174 0.166985 -1.960279
H 6.076812 -0.566538 0.777173
H 4.593841 -1.161708 1.563243
H 5.424462 -2.176805 0.331559
H -7.991257 1.495613 0.647996
H -7.116709 2.437828 -0.575578
H 5.914365 0.187886 -1.596006
H -9.480741 0.508776 -1.167660
H -9.574988 2.293786 -1.158039
H -8.600195 1.454891 -2.399624
H 4.397404 3.518528 2.377228
H 2.716588 2.996168 2.631625
H 3.064849 4.711735 2.245918
H 2.538107 5.303729 -0.047457
H 2.712954 4.048091 -1.425690


