%chk=000020820.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020820

0 1
 S    1.214700      -1.880900      3.8600001E-02
 O   -2.033800       1.374400     -0.6730000    
 O   -4.184500      0.8774000       1.232800    
 N   -1.126300     -0.7808000     -0.3551000    
 N   0.8072000      0.6494000     -0.2512000    
 C    2.589000     -0.8421000      0.1093000    
 C    2.171800      0.4807000     -6.7299999E-02
 C   0.2108000     -0.5193000     -0.2140000    
 C   -3.525000     -0.4822000     -0.6447000    
 C   -2.150300      0.1562000     -0.5715000    
 C    3.939100      -1.173700      0.3066000    
 C    3.142200       1.505900     -4.5000002E-02
 C    4.879100     -0.1402000      0.3244000    
 C    4.488000       1.182900      0.1510000    
 C   -4.507100      6.0300000E-02  0.3716000    
 C   -5.915000     -0.4680000      0.2873000    
 H   -3.461200      -1.565700     -0.5025000    
 H   -3.919600     -0.2905000      -1.648400    
 H   -1.374900      -1.764300     -0.2907000    
 H    4.251700      -2.204400      0.4427000    
 H    2.847700       2.542900     -0.1794000    
 H    5.929400     -0.3753000      0.4757000    
 H    5.233300       1.973500      0.1678000    
 H   -6.336600     -0.2325000     -0.6930000    
 H   -6.532100      1.4000000E-03   1.058400    
 H   -5.910600      -1.549000      0.4467000    


%chk=000020820-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020820

0 1
S 0.901243 -1.431150 1.139248
O -1.872127 1.464787 -1.556578
O -3.449776 -1.649483 0.908828
N -1.323050 -0.402928 -0.207166
N 0.845971 0.586872 -0.684786
C 2.444831 -0.602540 0.670537
C 2.190249 0.429528 -0.295632
C 0.054459 -0.256498 -0.071863
C -3.660062 -0.078476 -0.957503
C -2.193384 0.425605 -0.931840
C 3.745098 -0.867353 1.138727
C 3.266496 1.202543 -0.790392
C 4.808342 -0.084176 0.631944
C 4.569718 0.940111 -0.322469
C -4.196589 -0.883136 0.228055
C -5.669301 -0.733883 0.546300
H -3.754094 -0.728331 -1.854714
H -4.296397 0.800384 -1.153234
H -1.800295 -1.158775 0.326224
H 3.937507 -1.653959 1.874506
H 3.062120 1.986969 -1.524691
H 5.828025 -0.273596 0.983996
H 5.409529 1.533531 -0.699199
H -5.852125 0.269084 0.979634
H -5.986715 -1.499349 1.270292
H -6.282675 -0.799682 -0.371123


