%chk=000051249.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051249

0 1
 S    5.728900      0.8239000      -2.026900    
 O   -3.446300      -1.960800      -3.024100    
 O   -3.382500      -1.736200       1.650800    
 O    1.676200      -1.760900       3.461100    
 O    3.142100     -0.9671000      0.2139000    
 O   -3.693600       1.620500       1.439400    
 O   -3.616700       3.745800      0.6486000    
 C   -1.602300      -1.617800      -1.454200    
 C   -1.555500      -1.533600      7.8900002E-02
 C   -3.102500      -1.499400      -1.730700    
 C   -2.775000      -2.358600      0.5266000    
 C   -3.739700      -2.385800     -0.6635000    
 C  -0.7903000     -0.5314000      -2.151600    
 C  -0.2787000      -2.038100      0.6731000    
 C   -1.129900      0.8935000      -1.811600    
 C   0.5278000      -1.298300       1.448300    
 C    1.810900      -1.807200       2.043000    
 C  -0.3319000       1.799800      -1.226900    
 C  -0.7517000       3.210800     -0.9333000    
 C    3.002700     -0.9489000       1.627000    
 C  -0.6912000       3.574600      0.5567000    
 C   -1.571400       2.693500       1.448100    
 C    4.165900     -0.2258000     -0.3172000    
 C   -3.045700       2.769900       1.115500    
 C    5.073600      0.5404000      0.4408000    
 C    4.387300     -0.1754000      -1.661100    
 C    5.989600       1.172600     -0.3709000    
 H   -1.240000      -2.594300      -1.806400    
 H   -1.710100     -0.4960000      0.4005000    
 H   -3.472600     -0.4756000      -1.614400    
 H   -2.510500      -3.381400      0.8179000    
 H   -4.748100      -2.041000     -0.4107000    
 H   -3.837700      -3.412500      -1.038000    
 H  -0.9063000     -0.6456000      -3.237200    
 H   0.2748000     -0.7051000      -1.949600    
 H   3.9999999E-04  -3.065000      0.4482000    
 H   -4.415700      -1.937100      -3.095200    
 H   -3.689800     -0.8544000       1.379400    
 H   -2.125600       1.219800      -2.105100    
 H   0.2530000     -0.2722000       1.679100    
 H    1.992500      -2.847600       1.748100    
 H   0.6769000       1.513400     -0.9406000    
 H   -1.757200       3.407800      -1.323200    
 H  -7.9000004E-02   3.883000      -1.480200    
 H    2.854000      7.8400001E-02   1.987400    
 H    3.905900      -1.348700       2.106600    
 H  -0.9893000       4.624000      0.6710000    
 H   0.3461000       3.501500      0.9070000    
 H   0.9488000      -2.357400       3.709100    
 H   -1.458700       3.004400       2.492900    
 H   -1.243900       1.652000       1.381000    
 H    5.094900      0.6517000       1.516900    
 H    3.838600     -0.6673000      -2.452200    
 H   -4.652600       1.672100       1.239400    
 H    6.799600       1.822300     -7.0799999E-02


%chk=000051249-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051249

0 1
S 6.254285 0.332779 -2.224902
O -3.324844 -1.822964 -2.983855
O -3.352426 -1.272068 1.799474
O 2.098173 -1.980245 3.447665
O 3.476881 -1.256584 0.140917
O -4.303137 1.356533 0.915596
O -4.336733 3.579843 0.260978
C -1.539912 -1.396686 -1.373202
C -1.409203 -1.351564 0.180286
C -3.064309 -1.372643 -1.608009
C -2.711565 -2.054657 0.740542
C -3.618363 -2.302866 -0.505690
C -0.724242 -0.298883 -2.116265
C -0.126055 -1.952662 0.688831
C -1.218587 1.110527 -1.858942
C 0.790398 -1.314001 1.461996
C 2.058080 -1.957067 1.962389
C -0.594685 2.040533 -1.086776
C -1.133960 3.429856 -0.810077
C 3.330416 -1.178779 1.601576
C -1.386040 3.705642 0.701158
C -2.315326 2.673444 1.381025
C 4.577020 -0.588909 -0.410676
C -3.707416 2.642531 0.788377
C 5.592349 0.142745 0.326219
C 4.778706 -0.585583 -1.784649
C 6.558344 0.695339 -0.495920
H -1.185957 -2.384034 -1.738775
H -1.451670 -0.291007 0.497848
H -3.455484 -0.341302 -1.466433
H -2.466013 -3.003255 1.245584
H -4.682145 -2.138890 -0.255843
H -3.504417 -3.347692 -0.853954
H -0.781644 -0.517467 -3.200183
H 0.337294 -0.389086 -1.813977
H 0.071706 -2.995771 0.388269
H -4.301899 -1.837691 -3.143284
H -3.613056 -0.372444 1.455618
H -2.168390 1.391134 -2.342769
H 0.625825 -0.270915 1.772658
H 2.139385 -2.987827 1.558697
H 0.367621 1.780081 -0.614626
H -2.074860 3.585474 -1.371375
H -0.417254 4.194092 -1.173608
H 3.238747 -0.124034 1.930461
H 4.199346 -1.645545 2.105667
H -1.816871 4.718062 0.811593
H -0.421648 3.698796 1.245216
H 1.210483 -2.277785 3.771948
H -2.430209 2.921959 2.455887
H -1.886291 1.658664 1.338565
H 5.607687 0.251011 1.412468
H 4.172135 -1.054730 -2.554692
H -5.241243 1.398865 0.583708
H 7.429473 1.286923 -0.222031


