%chk=000168479.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168479

0 1
 S   -3.111700     -0.5900000     -2.5000000E-02
 O   -3.256200     -0.5973000      -1.515900    
 O    2.293600      -2.367300       1.070100    
 O    2.630400      -1.707700      -1.074600    
 O    2.981900       1.563100       1.141600    
 N    1.486300      0.6986000     -0.4200000    
 C  -0.3409000     -0.9347000     -4.3600000E-02
 C    1.069600     -0.4616000      0.3226000    
 C   -1.449900      3.7700001E-02  0.3519000    
 C   -3.992500      0.8589000      0.6039000    
 C    2.084800      -1.544100      9.2000002E-03
 C    2.411700       1.616900      5.5000000E-02
 C   -5.492600      0.7074000      0.4568000    
 C    2.685600       2.720000     -0.9319000    
 H  -0.3962000      -1.127500      -1.123800    
 H  -0.5282000      -1.903200      0.4394000    
 H    1.132600     -0.2262000       1.391800    
 H   -1.321900      0.9915000     -0.1705000    
 H   -1.404700      0.2281000       1.429400    
 H    1.131700      0.8094000      -1.366000    
 H   -3.737300      0.9837000       1.660900    
 H   -3.650800       1.743400      5.7200000E-02
 H   -5.779800      0.5938000     -0.5939000    
 H   -5.857600     -0.1705000       1.000700    
 H   -6.004100       1.589700      0.8541000    
 H    3.192200       3.547300     -0.4272000    
 H    3.324800       2.339400      -1.733200    
 H    1.749600       3.092400      -1.358100    
 H    2.932800      -3.080700      0.8585000    


%chk=000168479-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168479

0 1
S -2.947512 -0.550277 0.934626
O -2.820971 -1.426476 -0.496917
O 2.374866 -2.717146 0.119002
O 2.145343 -1.425838 -1.798568
O 1.047756 1.928970 1.433033
N 0.833416 0.552446 -0.429315
C -0.227459 -1.442935 0.741203
C 1.073503 -0.693811 0.310650
C -1.092127 -0.640852 1.708949
C -2.856972 1.291233 0.302711
C 1.911033 -1.608458 -0.582961
C 0.921058 1.797754 0.173985
C -3.977030 1.507659 -0.713935
C 0.856265 2.992977 -0.769436
H -0.848256 -1.676077 -0.162807
H 0.064630 -2.408694 1.188275
H 1.656670 -0.438569 1.215677
H -0.777373 0.405025 1.850686
H -1.252431 -1.126563 2.683280
H 0.814455 0.472940 -1.450786
H -2.934115 1.921343 1.205575
H -1.854060 1.377643 -0.145818
H -3.915713 0.738656 -1.504932
H -4.976699 1.451277 -0.247659
H -3.874880 2.502192 -1.186408
H 0.113562 3.715673 -0.391882
H 1.835913 3.502993 -0.767589
H 0.601922 2.720253 -1.807811
H 2.888406 -3.312839 -0.491430


