%chk=000008338.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008338

0 1
 S   -3.228000     -0.5752000     -3.9700001E-02
 S    3.547800      0.2924000     -4.6000000E-02
 O   -3.291300      -1.338100       1.399500    
 O    3.684900      0.9561000       1.438600    
 O   -4.253600      0.4499000     -3.4899998E-02
 O   -3.161100      -1.572400      -1.089300    
 O    4.553500     -0.7503000     -0.1468000    
 O    3.477700       1.364000      -1.022300    
 N   -2.865800       2.382300     -3.0300001E-02
 C  -0.4599000     -0.4736000     -4.3099999E-02
 C   0.7671000      0.2318000     -4.2300001E-02
 C   -1.665800      0.2462000     -3.9099999E-02
 C    1.973100     -0.4878000     -4.6599999E-02
 C   -1.662300       1.641300     -3.4600001E-02
 C   0.7518000       1.636100     -3.7599999E-02
 C  -0.4447000      -1.877900     -4.7899999E-02
 C  -0.4557000       2.334900     -3.3900000E-02
 C    1.969400      -1.883000     -5.1500000E-02
 C   0.7628000      -2.576700     -5.2099999E-02
 H    1.643000       2.249000      1.3000000E-02
 H   -1.334300      -2.493800     -7.8999996E-03
 H  -0.4386000       3.422000     -1.9500000E-02
 H    2.884500      -2.467200     -4.9400002E-02
 H   0.7613000      -3.663100     -4.5899998E-02
 H   -2.802000       3.392700     -6.6500001E-02
 H   -3.719900       1.990900      0.3336000    
 H   -3.262400     -0.7520000       2.191900    
 H    3.665100      0.3190000       2.190900    


%chk=000008338-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000008338

0 1
S -3.338590 -0.556410 -0.017653
S 3.670196 0.209216 -0.058473
O -3.271594 -1.142856 1.749810
O 3.591574 0.830130 1.694925
O -4.560894 0.515525 -0.151943
O -3.420895 -1.874155 -0.953480
O 4.791062 -0.950246 -0.170913
O 3.772784 1.505272 -1.025758
N -2.803722 2.544713 0.065500
C -0.494550 -0.481419 -0.042896
C 0.778683 0.223051 -0.039430
C -1.694339 0.321159 -0.032099
C 1.955348 -0.580748 -0.046737
C -1.691578 1.743263 0.021512
C 0.784454 1.660547 -0.017265
C -0.483393 -1.916538 -0.053664
C -0.390980 2.379684 0.011353
C 1.971490 -1.970357 -0.051530
C 0.714089 -2.635644 -0.057887
H 1.738537 2.193384 -0.036458
H -1.426283 -2.466636 -0.075008
H -0.363016 3.474918 0.030727
H 2.917292 -2.520180 -0.054939
H 0.688220 -3.729392 -0.065438
H -2.691382 3.555508 0.089051
H -3.743512 2.122371 0.038964
H -4.068483 -1.733076 1.896227
H 4.466082 1.276419 1.893800


