%chk=000049058.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049058

0 1
 S    5.354600      0.6023000     -0.8585000    
 O   -1.028400      -1.266600     -0.4610000    
 O  -0.3011000      -2.448800       1.375400    
 N   -3.755900      0.8208000      8.0000004E-03
 C   -3.276700      0.3663000      -1.291700    
 C   -3.252400      -1.158000      -1.343500    
 C   -5.111000      0.3267000      0.2595000    
 C   -3.726100       2.282500      8.6400002E-02
 C   -2.353300      -1.739500     -0.2610000    
 C   -5.597900      0.7377000       1.638800    
 C   -2.327900       2.817700     -0.1717000    
 C  -9.6400000E-02  -1.700200      0.4326000    
 C    1.239900      -1.136100      0.1159000    
 C    2.393300      -1.853300      0.4339000    
 C    1.341900      0.1114000     -0.4999000    
 C    3.750600     -7.5499997E-02 -0.4795000    
 C    3.648700      -1.323000      0.1362000    
 C    2.597200      0.6417000     -0.7976000    
 C    5.340000       2.143600      0.1001000    
 C    5.161000       1.850300       1.577600    
 H   -3.909700      0.7449000      -2.105000    
 H   -2.257700      0.7077000      -1.498600    
 H   -2.835100      -1.437300      -2.320700    
 H   -4.248000      -1.609900      -1.316700    
 H   -5.821200      0.6709000     -0.5028000    
 H   -5.144300     -0.7659000      0.2701000    
 H   -4.432200       2.745400     -0.6145000    
 H   -3.989900       2.619300       1.094100    
 H   -2.701600      -1.478900      0.7444000    
 H   -2.356200      -2.832400     -0.3513000    
 H   -4.852900      0.5236000       2.412900    
 H   -5.870100       1.796500       1.688900    
 H   -6.502200      0.1726000       1.892300    
 H   -1.570300       2.274400      0.4038000    
 H   -2.057900       2.794000      -1.231900    
 H   -2.276600       3.868400      0.1361000    
 H    2.330600      -2.827700      0.9113000    
 H   0.4607000      0.6964000     -0.7495000    
 H    4.536500      -1.896200      0.3917000    
 H    2.651800       1.613300      -1.282100    
 H    4.551800       2.810900     -0.2612000    
 H    6.297300       2.648900     -6.1799999E-02
 H    5.254100       2.781000       2.148000    
 H    5.926600       1.161800       1.951300    
 H    4.174500       1.436300       1.807000    


%chk=000049058-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049058

0 1
S 5.734177 0.256547 0.328082
O -0.930085 -1.116043 -0.583951
O -0.467606 -2.692717 1.071819
N -4.050574 0.866342 0.086023
C -3.233414 0.739800 -1.148978
C -3.094575 -0.728829 -1.614692
C -5.510895 0.883323 -0.197855
C -3.611290 1.981352 0.968591
C -2.347335 -1.594806 -0.602884
C -6.364387 0.397642 0.989529
C -2.322180 1.652929 1.746262
C -0.080340 -1.761182 0.320141
C 1.304637 -1.218494 0.275268
C 2.272439 -1.766084 1.159327
C 1.691134 -0.182723 -0.612711
C 3.976875 -0.248936 0.265960
C 3.592603 -1.285981 1.159570
C 3.015159 0.298736 -0.620095
C 5.788834 1.830126 -0.727145
C 5.145274 3.044925 -0.042912
H -3.652925 1.354093 -1.983538
H -2.221405 1.131178 -0.944851
H -2.574277 -0.760793 -2.591808
H -4.098048 -1.173398 -1.766171
H -5.851176 1.901448 -0.518584
H -5.693953 0.211587 -1.057852
H -3.474695 2.929466 0.388230
H -4.420563 2.175586 1.696008
H -2.773262 -1.474616 0.408503
H -2.345496 -2.665621 -0.875021
H -6.071259 -0.628139 1.273539
H -6.241393 1.042835 1.878084
H -7.437573 0.399760 0.721234
H -2.479086 0.764325 2.382568
H -1.475685 1.435801 1.069894
H -2.030458 2.503567 2.390514
H 1.966307 -2.565606 1.841885
H 0.949397 0.235619 -1.299021
H 4.328855 -1.710723 1.850711
H 3.285886 1.090596 -1.324851
H 5.337899 1.604098 -1.708388
H 6.870367 1.982330 -0.884738
H 5.223568 3.936181 -0.694871
H 5.651506 3.270512 0.911183
H 4.077116 2.871992 0.173793


