%chk=000025836.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025836

0 1
 S    4.410800      0.6581000      5.5999998E-03
 O   0.5192000     -8.9500003E-02 -4.0000002E-03
 O    1.702600       1.887400      2.0199999E-02
 N    6.217700      -1.547500     -3.7000000E-03
 C   -3.210100      0.3664000     -2.3000000E-02
 C   -4.408200     -0.5870000     -3.5999999E-03
 C   -1.861700     -0.3519000     -1.2000000E-02
 C   -5.757600      0.1315000     -3.9500002E-02
 C  -0.7026000      0.6359000      1.3000000E-03
 C   -6.912700     -0.8539000      5.4600000E-02
 C    1.666500      0.6650000      6.8000001E-03
 C    2.854600     -0.2635000     -2.9000000E-03
 C    5.481400     -0.6511000      1.9999999E-04
 H   -3.272300       1.033700      0.8456000    
 H   -3.273000       1.002000     -0.9151000    
 H   -4.339600      -1.268500     -0.8607000    
 H   -4.351900      -1.208200      0.8991000    
 H   -1.775000      -1.006900     -0.8878000    
 H   -1.789700      -1.009300      0.8632000    
 H   -5.822400      0.8413000      0.7932000    
 H   -5.845800      0.7091000     -0.9669000    
 H  -0.7480000       1.279200     -0.8854000    
 H  -0.7523000       1.260600      0.9009000    
 H   -7.868200     -0.3210000      2.4700001E-02
 H   -6.892500      -1.562500     -0.7795000    
 H   -6.869500      -1.421500      0.9896000    
 H    2.806200     -0.8807000     -0.9056000    
 H    2.806300     -0.8984000      0.8875000    


%chk=000025836-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025836

0 1
S 4.494534 0.714289 -0.023601
O 0.544070 -0.120952 -0.001162
O 1.790948 1.856022 -0.040125
N 6.454407 -1.486727 0.014241
C -3.255443 0.396434 -0.009619
C -4.445865 -0.588488 0.014827
C -1.885642 -0.323567 0.006085
C -5.819110 0.120625 -0.003919
C -0.731176 0.675196 -0.014515
C -7.004880 -0.867404 0.019103
C 1.721053 0.607594 -0.016665
C 2.905763 -0.345890 -0.000107
C 5.629565 -0.616225 -0.000165
H -3.328188 1.078332 0.862963
H -3.329880 1.036055 -0.913523
H -4.375931 -1.273019 -0.855985
H -4.376662 -1.227620 0.919532
H -1.804377 -0.995273 -0.869695
H -1.804947 -0.957792 0.909430
H -5.888319 0.804222 0.866790
H -5.886577 0.760637 -0.907300
H -0.730629 1.304797 -0.923176
H -0.728171 1.338845 0.869529
H -7.974031 -0.336448 0.002249
H -6.974977 -1.543660 -0.856021
H -6.980164 -1.496466 0.928871
H 2.896823 -0.999949 -0.885571
H 2.900007 -0.964768 0.910329


