%chk=000169682.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169682

0 1
 S    2.955700     -3.0000000E-03  8.3300002E-02
 O    3.475400      -1.262500     -0.4308000    
 O    3.482800       1.256900     -0.4223000    
 N   -5.216800     -1.7999999E-02  0.5474000    
 N    3.086200     -7.4000000E-03   1.787100    
 C   -1.549300      6.0000001E-03 -0.4424000    
 C   -3.030600      8.5000005E-03 -0.6154000    
 C    1.221500      6.0000003E-04 -0.1177000    
 C  -0.8546000       1.212600     -0.3574000    
 C  -0.8585000      -1.203300     -0.3649000    
 C   -3.769500      5.7000001E-03  0.7304000    
 C   0.5308000       1.209900     -0.1950000    
 C   0.5269000      -1.206000     -0.2024000    
 H   -3.331600      0.8838000      -1.206500    
 H   -3.331700     -0.8641000      -1.210400    
 H   -1.381900       2.161400     -0.4130000    
 H   -1.388600      -2.150200     -0.4262000    
 H   -3.500800      0.8934000       1.314400    
 H   -3.475600     -0.8667000       1.325300    
 H    1.050600       2.161200     -0.1245000    
 H    1.043600      -2.159500     -0.1377000    
 H   -5.477500     -0.8395000      2.9000000E-03
 H   -5.502500      0.7869000     -9.2000002E-03
 H    3.415100     -0.8700000       2.237800    
 H    3.418200      0.8518000       2.241900    


%chk=000169682-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169682

0 1
S 3.033546 0.000253 0.172469
O 3.613978 -1.435193 -0.340303
O 3.614030 1.438258 -0.332983
N -5.308491 -0.003859 0.582523
N 3.205979 -0.004368 2.003910
C -1.587386 0.001764 -0.547823
C -3.093384 0.001913 -0.720015
C 1.176734 0.000864 -0.097083
C -0.871075 1.223811 -0.432042
C -0.870727 -1.220725 -0.438995
C -3.846048 -0.003488 0.663549
C 0.522184 1.237774 -0.206301
C 0.522521 -1.235587 -0.213316
H -3.422529 0.895531 -1.284785
H -3.421905 -0.887744 -1.291377
H -1.407122 2.175085 -0.529956
H -1.406487 -2.171586 -0.542355
H -3.523207 0.880310 1.245764
H -3.522316 -0.891175 1.239321
H 1.088066 2.172925 -0.145738
H 1.088698 -2.170885 -0.158043
H -5.731901 -0.854994 0.205069
H -5.732696 0.849626 0.211313
H 3.708494 -0.866978 2.273790
H 3.708345 0.856970 2.278106


