%chk=000164006.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164006

0 1
 S   -1.108500     -0.7639000     -0.4661000    
 O    2.369200      -2.096900      -1.013100    
 O   -3.924200     -4.0399998E-02  -1.682800    
 O    1.637800      -2.880100      0.9850000    
 O    2.546600       2.187400      0.9051000    
 N    1.947700      0.4087000     -0.4728000    
 N   -2.822300       2.103000       1.094300    
 C    1.500200     -0.4977000      0.5551000    
 C   1.9600000E-02 -0.2987000      0.8892000    
 C   -2.670300     -0.4239000      0.3750000    
 C    1.827900      -1.943100      0.2190000    
 C   -3.861000     -0.8267000     -0.4982000    
 C    2.434600       1.679100     -0.2073000    
 C    2.855700       2.403900      -1.457600    
 C   -2.753100      0.9893000      0.7752000    
 H    2.087200     -0.2665000       1.453700    
 H  -0.1410000      0.7511000       1.153400    
 H  -0.2371000     -0.9118000       1.760300    
 H   -2.699400      -1.050100       1.274500    
 H    1.888600      9.7999997E-02  -1.438500    
 H   -4.798700     -0.6762000      4.9500000E-02
 H   -3.804100      -1.883700     -0.7825000    
 H    3.057600       3.453200      -1.225300    
 H    3.762400       1.943000      -1.858900    
 H    2.060400       2.357900      -2.207200    
 H    2.579200      -3.035400      -1.207000    
 H   -4.701600     -0.3411000      -2.183500    


%chk=000164006-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000164006

0 1
S -1.463740 0.865001 -0.160141
O 1.958857 -1.999371 -0.470241
O -4.056487 -0.046065 -1.467162
O 0.063533 -2.169368 0.846860
O 3.722859 1.231810 0.519732
N 1.725342 0.736016 -0.552583
N -4.271754 0.206603 2.296970
C 1.181604 0.035149 0.608850
C -0.097604 0.699408 1.154926
C -2.604099 -0.586276 0.380413
C 0.974907 -1.463424 0.351965
C -3.317752 -1.150269 -0.855638
C 2.999316 1.293383 -0.520272
C 3.455962 1.969225 -1.804841
C -3.532940 -0.140034 1.425720
H 1.985338 0.113222 1.378056
H 0.132904 1.726374 1.477849
H -0.509249 0.139603 2.009185
H -1.923222 -1.358292 0.784950
H 1.145972 0.795498 -1.392727
H -3.995769 -1.968629 -0.532662
H -2.548883 -1.560614 -1.542510
H 3.813848 2.985699 -1.570834
H 4.311855 1.408449 -2.219693
H 2.666245 2.031628 -2.572786
H 1.824418 -2.983185 -0.550426
H -4.588061 -0.373142 -2.234461


