%chk=000052933.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052933

0 1
 S  -0.4638000       2.050300     -0.7416000    
 O   -1.737100      -1.064700      0.4599000    
 O   5.9300002E-02   2.842300      -1.839500    
 O   -1.748200       1.390300     -0.8865000    
 O    3.597200      -2.058700      0.4626000    
 O   -1.395600      -1.256000      -1.808500    
 N  -0.4633000       2.996500      0.7000000    
 C   0.7335000      0.7960000     -0.3812000    
 C   0.3767000     -0.5418000     -0.3824000    
 C    2.029700       1.197900     -0.1027000    
 C    1.343400      -1.506000     -9.7199999E-02
 C   -3.094200      -1.492000      0.3012000    
 C    2.653200      -1.118200      0.1852000    
 C  -0.9800000     -0.9848000     -0.6758000    
 C    2.996400      0.2336000      0.1823000    
 C  -0.8284000       2.322500       1.971900    
 C   0.6385000       3.974800      0.8860000    
 C   -3.113300      -2.871300     -0.3398000    
 C   -3.782400      -1.487900       1.657700    
 C    3.178600      -3.422700      0.4485000    
 H    2.337100       2.235800     -0.1425000    
 H    1.021300      -2.542600     -0.1095000    
 H   -3.617500     -0.7754000     -0.3439000    
 H    4.017500      0.5407000      0.3914000    
 H   -1.706800       1.687200       1.828400    
 H   -1.089500       3.074500       2.723300    
 H   1.1000000E-03   1.718500       2.349300    
 H    1.029200       4.338100     -6.7299999E-02
 H    1.452700       3.554500       1.482100    
 H   0.2421000       4.846500       1.417700    
 H   -4.086500      -3.352400     -0.1904000    
 H   -2.961000      -2.845500      -1.421400    
 H   -2.341600      -3.521100      8.7700002E-02
 H   -4.833700      -1.779400       1.574900    
 H   -3.730300     -0.4905000       2.107500    
 H   -3.280700      -2.171700       2.351200    
 H    2.841500      -3.730200     -0.5472000    
 H    2.428400      -3.621700       1.221400    
 H    4.055400      -4.032100      0.6907000    


%chk=000052933-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052933

0 1
S -0.026610 1.973527 -0.165108
O -1.683596 -0.655352 0.103864
O 1.030920 3.222215 -0.303746
O -1.230922 1.883253 -1.250340
O 4.078853 -2.531524 -0.299766
O -0.982979 -2.550457 -1.053665
N -0.809099 2.029746 1.612521
C 1.084264 0.409388 -0.129712
C 0.666892 -0.930052 -0.315296
C 2.450663 0.747395 -0.018585
C 1.671760 -1.931009 -0.386707
C -3.132278 -1.073789 -0.069397
C 3.040250 -1.605260 -0.251863
C -0.735886 -1.457848 -0.477509
C 3.430649 -0.255444 -0.062933
C 0.274978 2.402041 2.563899
C -1.903540 3.042867 1.567709
C -3.472329 -2.100145 1.019570
C -3.941831 0.219852 0.003991
C 3.732169 -3.942437 -0.525721
H 2.726876 1.803958 0.066435
H 1.330507 -2.954331 -0.565700
H -3.204059 -1.539059 -1.069896
H 4.493704 -0.014932 0.024542
H 1.080045 1.649039 2.526569
H -0.170821 2.371872 3.575214
H 0.702164 3.411116 2.385871
H -2.531612 2.852269 0.682723
H -1.542943 4.093334 1.543057
H -2.518428 2.892066 2.473986
H -4.538659 -2.382030 0.944226
H -2.865410 -3.013762 0.905477
H -3.296837 -1.670166 2.021449
H -5.004575 0.004108 -0.209551
H -3.563542 0.946841 -0.733496
H -3.869703 0.665925 1.011261
H 3.221035 -4.075808 -1.497523
H 3.094264 -4.330859 0.290577
H 4.694567 -4.473246 -0.532927


