%chk=000081025.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081025

0 1
 S   -2.600800      -2.824800     -0.8089000    
 S    3.091800     -0.9256000       2.644700    
 S    3.519000       2.190600      -1.882700    
 O  -0.1502000      -1.124200      -2.955800    
 O   -3.423100      -3.148200      -1.959900    
 O   -2.845200      -3.484700      0.4593000    
 O    2.533900      0.5229000       3.148900    
 O    2.996200      -1.839600       3.769100    
 O    4.350800     -0.7162000       1.953300    
 O    2.697300       3.520200      -1.403500    
 O    4.726100       2.122300      -1.072400    
 O    3.599800       2.208500      -3.334800    
 O   -2.962400       4.925600       1.554200    
 N  -0.9454000      -2.980800      -1.248100    
 C   0.8621000      -1.331300     -0.7485000    
 C    1.819400     -0.8427000      0.1724000    
 C   5.0700001E-02  -2.418000     -0.3838000    
 C    1.937000      -1.455100       1.430700    
 C   0.7445000     -0.7188000      -2.006800    
 C    2.630700      0.2441000     -0.1922000    
 C   0.1811000      -3.014400      0.8707000    
 C    2.500100      0.8406000      -1.446700    
 C    1.122400      -2.533900       1.776200    
 C   -2.748100      -1.080400     -0.5475000    
 C    1.558800      0.3600000      -2.352200    
 C   -2.620700      0.8157000      0.9387000    
 C   -2.509000     -0.5663000      0.7146000    
 C   -2.978100       1.664400     -0.1360000    
 C   -3.097700     -0.2690000      -1.607700    
 C   -3.213300       1.106300      -1.403000    
 C   -2.385300       1.373800       2.205700    
 C   -3.089600       3.046300      8.8200003E-02
 C   -2.852200       3.583700       1.353600    
 C   -2.500600       2.749000       2.410300    
 H  -0.7350000      -2.931000      -2.252700    
 H    3.334800      0.6979000      0.4925000    
 H  -0.4200000      -3.872800       1.156600    
 H    1.191300      -3.029600       2.739700    
 H    1.448700      0.8282000      -3.327100    
 H   -2.237300      -1.218800       1.540500    
 H   -3.277800     -0.6668000      -2.601500    
 H   -3.486800       1.740000      -2.244000    
 H   -2.107900      0.7404000       3.045900    
 H   -3.363100       3.712900     -0.7279000    
 H  -7.3600002E-02 -0.5626000      -3.745800    
 H   -2.312200       3.155600       3.400400    
 H    1.637700      0.5120000       3.560100    
 H    2.519500       3.581300     -0.4355000    
 H   -2.763600       5.122600       2.485800    


%chk=000081025-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081025

0 1
S -2.570786 -2.119443 -1.025482
S 3.595277 -0.415935 2.519529
S 5.715308 0.251665 -2.739974
O 0.776253 -1.293189 -3.406689
O -3.148302 -2.388113 -2.516522
O -2.600831 -3.251468 0.138336
O 3.591488 1.424081 2.225725
O 2.972328 -0.737891 3.976335
O 5.083598 -0.945216 2.152060
O 5.326027 2.066419 -2.802738
O 6.896553 0.003435 -1.668579
O 5.837246 -0.294865 -4.259293
O -5.852163 4.270972 3.086164
N -0.839313 -1.650016 -1.435329
C 1.517489 -1.036092 -1.095646
C 2.600447 -0.719969 -0.172759
C 0.212567 -1.424830 -0.560932
C 2.319841 -0.823760 1.226199
C 1.803940 -0.953205 -2.506332
C 3.884635 -0.321835 -0.676626
C 0.039763 -1.539937 0.838246
C 4.048697 -0.253196 -2.046899
C 1.084949 -1.226725 1.727432
C -3.301516 -0.538234 -0.316899
C 3.050482 -0.558171 -2.995215
C -4.171882 0.681739 1.582852
C -3.598180 -0.510752 1.038429
C -4.430115 1.812562 0.707579
C -3.558608 0.533996 -1.215706
C -4.116031 1.699382 -0.691857
C -4.499648 0.790581 2.973336
C -4.996790 3.002718 1.251664
C -5.300070 3.075238 2.615355
C -5.052560 1.962278 3.485935
H -0.664486 -1.683601 -2.453735
H 4.716167 -0.115149 0.003599
H -0.906822 -1.910287 1.236198
H 0.937910 -1.305904 2.809315
H 3.273734 -0.505861 -4.066855
H -3.417395 -1.387402 1.670619
H -3.337783 0.432975 -2.282411
H -4.326522 2.546700 -1.353225
H -4.309542 -0.060597 3.636080
H -5.200174 3.868128 0.613906
H 1.072993 -1.255866 -4.348089
H -5.298606 2.036870 4.552719
H 4.377597 1.802618 2.718218
H 6.148944 2.541810 -3.119320
H -6.031411 4.232641 4.058381


