%chk=000153557.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153557

0 1
 S    8.016900     -0.1850000      0.7709000    
 O   -1.993600     -0.8995000      0.8825000    
 O  -0.9251000      0.5731000     -0.6409000    
 O   -5.079000       1.675200     -0.1434000    
 O   -5.130800      -1.031000      -1.048800    
 O   -3.297100       1.415500       1.978500    
 N    5.265300      6.9700003E-02  0.6603000    
 C   -3.903600      0.8848000     -0.3064000    
 C   -4.240400     -0.5811000     -3.0500000E-02
 C   -2.807000       1.381500      0.6372000    
 C   -2.959000      -1.426300     -3.3500001E-02
 C   -1.597900      0.4485000      0.6072000    
 C   -3.225600      -2.870500      0.3816000    
 C   0.4281000      0.3614000     -0.6354000    
 C    1.285300       1.378800      -1.040200    
 C   0.9322000     -0.8683000     -0.2264000    
 C    3.176000     -6.7100003E-02 -0.6268000    
 C    2.663500       1.163900      -1.035900    
 C    2.310300      -1.083300     -0.2220000    
 C    4.649300     -0.2971000     -0.6212000    
 C    6.432300     -4.3099999E-02  0.6934000    
 H   -3.581300       1.005400      -1.348100    
 H   -4.768800     -0.6632000      0.9272000    
 H   -2.526900       2.405700      0.3681000    
 H   -2.522900      -1.450300      -1.040500    
 H  -0.9241000      0.7420000       1.423900    
 H   -3.666600      -2.913800       1.383500    
 H   -3.893200      -3.379600     -0.3192000    
 H   -2.285500      -3.431500      0.4285000    
 H   -5.756800       1.315800     -0.7412000    
 H   -5.468900      -1.902600     -0.7835000    
 H   -3.405800      0.5007000       2.288700    
 H   0.8901000       2.339200      -1.358800    
 H   0.2775000      -1.679400      7.5000003E-02
 H    3.327400       1.964500      -1.351400    
 H    2.697000      -2.047600      9.7099997E-02
 H    4.848200      -1.354700     -0.8487000    
 H    5.102700      0.2753000      -1.444200    


%chk=000153557-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153557

0 1
S 7.343258 1.506797 1.371333
O -2.016359 -0.988208 0.976548
O -0.865240 0.831263 -0.156826
O -4.981201 1.854350 -0.035947
O -4.944774 -0.640678 -1.396119
O -3.509293 1.109133 2.400542
N 5.528702 -0.027479 -0.189884
C -3.791285 1.017172 -0.113739
C -4.158118 -0.478266 -0.161536
C -2.881176 1.321461 1.096441
C -2.874039 -1.347553 -0.190723
C -1.627037 0.420141 1.015796
C -3.134605 -2.848764 -0.076644
C 0.459323 0.368792 -0.305240
C 1.204785 0.989423 -1.335828
C 1.043906 -0.642630 0.496243
C 3.151409 -0.392975 -0.754178
C 2.541553 0.606426 -1.554331
C 2.387918 -1.008437 0.264864
C 4.610896 -0.789915 -0.983558
C 6.300866 0.613695 0.477621
H -3.209699 1.247027 -1.033657
H -4.772535 -0.741578 0.728229
H -2.595534 2.384561 1.089415
H -2.322405 -1.117088 -1.124975
H -1.025997 0.512089 1.938731
H -3.696954 -3.084662 0.845288
H -3.707082 -3.208213 -0.950800
H -2.179494 -3.399959 -0.048322
H -5.565881 1.583581 -0.792084
H -5.505172 -1.453707 -1.338197
H -3.638319 0.133180 2.535427
H 0.727248 1.765813 -1.941386
H 0.459057 -1.156933 1.262997
H 3.117814 1.096615 -2.348229
H 2.840894 -1.789127 0.888172
H 4.752002 -1.863683 -0.747277
H 4.874770 -0.655665 -2.051568


