%chk=000091201.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091201

0 1
 S   -4.679600      -1.936200      5.2200001E-02
 O   -1.785400       1.903800      0.3576000    
 O   -5.964700      -1.146600     -0.5657000    
 O   -3.732300       2.546600     -0.7027000    
 O   -4.843600      -2.052400       1.486800    
 O   -4.388500      -3.084900     -0.7814000    
 O   -1.202200     -0.7148000      -1.008200    
 O   -1.735300      -2.048600      0.7475000    
 C    3.315700      0.5815000     -0.1439000    
 C    4.778800      0.5598000      0.3075000    
 C    2.555700       1.828000      0.3148000    
 C    5.558600     -0.6496000     -0.2132000    
 C    1.093700       1.782700     -0.1372000    
 C    7.028900     -0.5826000      0.2065000    
 C   0.3392000       3.043300      0.2953000    
 C    7.819100      -1.769500     -0.3442000    
 C   -1.111100       3.035900     -0.1724000    
 C   -3.469400     -0.6816000     -0.2787000    
 C   -3.690800      0.5279000      0.6235000    
 C    9.287200      -1.688700      4.2599998E-02
 C   -3.103100       1.777000      1.2100000E-02
 C   -2.070800      -1.231100     -9.8999999E-02
 H    2.811800     -0.3145000      0.2395000    
 H    3.277500      0.5214000      -1.238800    
 H    4.817800      0.5736000       1.403800    
 H    5.268800       1.478900     -3.7799999E-02
 H    3.041800       2.722300     -9.3099996E-02
 H    2.601300       1.904100       1.407800    
 H    5.490800     -0.6835000      -1.307200    
 H    5.104200      -1.571700      0.1683000    
 H   0.6161000      0.8965000      0.2953000    
 H    1.046100       1.681600      -1.228100    
 H    7.472100      0.3522000     -0.1580000    
 H    7.099200     -0.5682000       1.301000    
 H   0.8408000       3.934600     -9.8800004E-02
 H   0.3622000       3.106900       1.390200    
 H    7.737700      -1.796800      -1.437000    
 H    7.396400      -2.706600      3.6300000E-02
 H   -1.606500       3.950600      0.1732000    
 H   -1.148200       3.005600      -1.267800    
 H   -3.595600     -0.4275000      -1.338900    
 H   -4.755700      0.7338000      0.7852000    
 H   -3.259600      0.3827000       1.621700    
 H    9.406700      -1.689900       1.130800    
 H    9.747700     -0.7777000     -0.3529000    
 H    9.833100      -2.547500     -0.3601000    
 H   -5.987000      -1.074700      -1.548900    
 H  -0.2978000      -1.077800     -0.8963000    


%chk=000091201-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091201

0 1
S -3.994086 -2.061123 -0.193433
O -1.973611 2.087120 0.124011
O -3.001338 -2.376672 -1.737048
O -3.955334 3.214737 -0.372445
O -5.523530 -1.745551 -0.614676
O -3.699299 -3.215959 0.895469
O -1.108282 -1.204381 1.330203
O -2.748918 -0.130816 2.591851
C 3.211941 0.706533 -0.434951
C 4.637551 0.487071 0.119981
C 2.421154 1.792868 0.327862
C 5.429067 -0.603597 -0.636327
C 0.996592 2.012316 -0.228724
C 6.858203 -0.813931 -0.086770
C 0.209947 3.083873 0.559028
C 7.650063 -1.907866 -0.838991
C -1.188759 3.363223 0.011843
C -2.987643 -0.330519 0.153697
C -4.005267 0.795792 0.100352
C 9.078906 -2.104289 -0.287397
C -3.346671 2.164536 -0.087567
C -2.305076 -0.518716 1.492172
H 2.650843 -0.250409 -0.396044
H 3.275720 0.984879 -1.507712
H 4.575254 0.214332 1.194559
H 5.198943 1.443902 0.075432
H 2.983576 2.749619 0.290828
H 2.357149 1.512552 1.400448
H 5.486531 -0.334918 -1.712065
H 4.872323 -1.562807 -0.585666
H 0.439595 1.055546 -0.202995
H 1.061462 2.313003 -1.295384
H 7.416943 0.143976 -0.141633
H 6.803044 -1.079293 0.990032
H 0.766777 4.043430 0.539749
H 0.128375 2.786942 1.622884
H 7.700747 -1.645086 -1.915476
H 7.094411 -2.866051 -0.779262
H -1.724453 4.142188 0.582667
H -1.174319 3.650328 -1.055917
H -2.276133 -0.376038 -0.682511
H -4.729921 0.650746 -0.720309
H -4.587544 0.831767 1.039764
H 9.054994 -2.397071 0.779440
H 9.664966 -1.168954 -0.364402
H 9.623710 -2.890945 -0.841223
H -3.299715 -3.246523 -2.131225
H -0.697089 -1.391465 2.217082


