%chk=000021016.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021016

0 1
 S   -2.662200      0.5809000     -0.5642000    
 O    1.994300       1.529900     -0.9845000    
 O  -0.2237000       1.058600       1.168900    
 O    3.513400      0.7695000      0.5162000    
 N    2.943700      -1.802400     -0.3084000    
 N   -1.307000     -0.3969000     -0.2952000    
 C    1.891000     -0.7909000     -0.4293000    
 C   0.8273000      -1.033100      0.6435000    
 C  -0.2847000     -3.5999999E-03  0.5522000    
 C    2.560700      0.5575000     -0.2231000    
 C   -3.940100     -0.5514000      2.4900001E-02
 C   -5.312600      8.1900001E-02 -0.1012000    
 H    1.466200     -0.8382000      -1.437700    
 H    1.254000     -0.9636000       1.652700    
 H   0.4023000      -2.039800      0.5463000    
 H    3.372900      -1.755900      0.6150000    
 H    3.683100      -1.616900     -0.9848000    
 H   -1.260500      -1.286600     -0.7832000    
 H   -3.903500      -1.475500     -0.5612000    
 H   -3.743900     -0.8052000       1.071700    
 H   -5.390300      0.9968000      0.4961000    
 H   -5.550100      0.3242000      -1.142600    
 H   -6.078200     -0.6135000      0.2589000    
 H    2.435000       2.397000     -0.8571000    


%chk=000021016-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021016

0 1
S -3.263406 -1.553519 -0.464157
O 2.159492 1.690558 0.599751
O -0.768928 -0.233320 -1.762493
O 0.921602 0.079249 1.728387
N 3.274070 -0.911928 -0.482827
N -1.513505 -1.824638 -0.218313
C 1.877860 -0.434305 -0.527835
C 0.903774 -1.622043 -0.620835
C -0.527007 -1.150010 -0.925764
C 1.557270 0.429422 0.706512
C -3.438203 0.204192 0.260581
C -4.912654 0.619398 0.151542
H 1.748391 0.193529 -1.425242
H 0.945098 -2.225412 0.305051
H 1.243878 -2.255065 -1.460517
H 3.494870 -1.500238 0.327632
H 3.971980 -0.178853 -0.640081
H -1.244472 -2.450274 0.544224
H -3.090551 0.167825 1.305726
H -2.778083 0.850825 -0.337587
H -5.250761 0.629018 -0.900070
H -5.572415 -0.056063 0.725736
H -5.040779 1.640494 0.554892
H 1.989575 2.213956 1.429586


