%chk=000080772.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080772

0 1
 S   -2.975700      -2.025100     -9.7800002E-02
 O  -0.3282000       3.245400      2.1800000E-02
 O   -3.303600      -2.377600       1.464600    
 O   -4.254400      -1.863800     -0.7741000    
 O   -1.996300      -2.985500     -0.5816000    
 O    1.841700      -1.350700      0.3211000    
 O    4.465700     -0.9799000      -1.411100    
 N    1.223600      0.9122000      0.1994000    
 C  -0.1860000      0.8510000      8.2000002E-02
 C   -2.185700     -0.4680000     -6.0100000E-02
 C  -0.7977000     -0.3921000      5.5100001E-02
 C  -0.9247000       2.019800     -3.3000000E-03
 C   -2.943200      0.6999000     -0.1469000    
 C   -2.312800       1.944000     -0.1185000    
 C    2.109800     -0.1524000      0.2951000    
 C    3.550100      0.3099000      0.4072000    
 C    4.547300     -0.6312000     -0.2343000    
 C    5.652700      -1.138800      0.6539000    
 C   -1.182600       4.383000     -7.2499998E-02
 H  -0.2661000      -1.326900      0.1286000    
 H   -4.025800      0.6638000     -0.2301000    
 H   -2.966700       2.806200     -0.1890000    
 H    1.610400       1.853400      0.2143000    
 H    3.776100      0.4154000       1.474100    
 H    3.687700       1.292500     -5.7000000E-02
 H    6.229900     -0.2945000       1.039100    
 H    6.319100      -1.787700      7.8800000E-02
 H    5.224800      -1.713300       1.479100    
 H  -0.5415000       5.270200     -3.6899999E-02
 H   -1.863000       4.449900      0.7833000    
 H   -1.711600       4.413300      -1.031200    
 H   -3.911500      -1.749700       1.921100    


%chk=000080772-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080772

0 1
S -3.566200 -1.928498 0.512418
O 0.211587 2.634866 -0.518364
O -3.793135 -1.616646 2.334250
O -4.976277 -1.662506 -0.236866
O -2.810461 -3.349723 0.347720
O 1.497547 -1.784135 1.252700
O 3.561359 1.649668 -0.263045
N 1.209670 0.400016 0.430075
C -0.185397 0.413637 0.211266
C -2.416808 -0.495717 0.198715
C -1.049984 -0.674660 0.470527
C -0.737508 1.634379 -0.306521
C -2.985494 0.679787 -0.307147
C -2.117402 1.762632 -0.567176
C 1.962367 -0.652347 0.925057
C 3.468068 -0.363798 1.122289
C 4.159369 0.627038 0.182402
C 5.602496 0.331485 -0.175726
C -0.228857 3.915149 -1.082431
H -0.645642 -1.615238 0.852466
H -4.059519 0.742720 -0.503825
H -2.525980 2.694978 -0.964868
H 1.734737 1.250697 0.148556
H 3.981025 -1.339485 1.113219
H 3.585898 0.035633 2.152813
H 6.190299 0.077501 0.725776
H 6.055395 1.191248 -0.692202
H 5.643829 -0.552630 -0.841680
H 0.686987 4.516118 -1.169728
H -0.947517 4.417183 -0.407779
H -0.682029 3.770984 -2.081096
H -4.260622 -2.417634 2.712407


