%chk=000053049.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053049

0 1
 S    5.572800     -0.5557000      0.5070000    
 O  -0.2142000      -2.195100      0.1452000    
 O   -4.754500     -0.8483000     -4.9300000E-02
 O    1.076000       1.673700      8.8500001E-02
 N    3.567700      0.7257000     -0.5029000    
 C   -3.051200      0.8377000     -5.4000001E-02
 C  -0.7324000      0.1718000      4.2900000E-02
 C   -1.117900      -1.167100      7.8199998E-02
 C   -1.698300       1.179600     -2.2900000E-02
 C   -4.075500       1.922100     -0.1239000    
 C   -3.436800     -0.5028000     -1.8800000E-02
 C   0.7030000      0.5072000      8.0100000E-02
 C   -2.470800      -1.506800      4.7699999E-02
 C    1.657400     -0.6408000      0.1207000    
 C    1.119800      -1.870800      0.1543000    
 C    3.074800     -0.3959000      0.1299000    
 C   -4.517100       2.391200       1.259100    
 C    4.004400      -1.211200      0.7349000    
 C    4.875000      0.7450000     -0.3683000    
 C   -5.339700      -1.057700      -1.332700    
 C    5.757500       1.798400     -0.9157000    
 H   -1.404900       2.226100     -4.8000000E-02
 H   -3.666500       2.778400     -0.6759000    
 H   -4.953800       1.611500     -0.6985000    
 H   -2.772100      -2.551000      7.6200001E-02
 H    1.699000      -2.785700      0.1832000    
 H   -4.972500       1.573700       1.828000    
 H   -5.255300       3.194200       1.167800    
 H   -3.669500       2.773300       1.838100    
 H    3.862500      -2.128800       1.288900    
 H   -6.427300      -1.031200      -1.222500    
 H   -5.050400      -2.042800      -1.711900    
 H   -5.040100     -0.2863000      -2.049400    
 H    6.309600       2.303400     -0.1164000    
 H    5.169100       2.555800      -1.443900    
 H    6.475900       1.378900      -1.627300    


%chk=000053049-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053049

0 1
S 5.592580 -0.632873 0.921417
O -0.268894 -1.973456 -0.460995
O -4.842760 -0.319067 -0.624739
O 1.152287 1.838904 0.551891
N 3.787700 0.597877 -0.617879
C -3.062448 1.198716 -0.116291
C -0.715099 0.411540 -0.026420
C -1.169343 -0.891740 -0.339025
C -1.694953 1.437172 0.078206
C -4.095730 2.302744 0.024586
C -3.468396 -0.144314 -0.433725
C 0.725616 0.694030 0.198415
C -2.530043 -1.191324 -0.545519
C 1.617499 -0.482413 0.007397
C 1.086653 -1.712295 -0.299955
C 3.082835 -0.342335 0.162326
C -4.847400 2.246648 1.382374
C 3.865935 -1.089500 1.032011
C 5.081035 0.603236 -0.373784
C -5.321923 -1.657130 -0.988321
C 6.102760 1.482234 -1.029537
H -1.336209 2.443692 0.320221
H -3.591965 3.281755 -0.075183
H -4.836692 2.225067 -0.792270
H -2.812620 -2.218447 -0.786430
H 1.678766 -2.615738 -0.462637
H -5.389240 1.290882 1.487754
H -5.583208 3.068516 1.451413
H -4.143081 2.342893 2.228168
H 3.540673 -1.833524 1.755984
H -6.410220 -1.550400 -1.102406
H -5.098535 -2.390732 -0.190303
H -4.875354 -1.994226 -1.943201
H 6.607518 2.132267 -0.292080
H 5.594535 2.120800 -1.769389
H 6.881421 0.890241 -1.543672


