%chk=000126223.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126223

0 1
 S  -0.1184000      0.4974000       1.094300    
 O   -3.032100      -1.274800       1.186700    
 O   -3.422000       1.975500     -0.5122000    
 N    4.192500      -1.155400     -0.5326000    
 N    4.875200     -0.7927000      0.4399000    
 C   -3.620200     -0.1558000      0.5189000    
 C   -3.271400      -1.418500     -0.2283000    
 C   -2.754300       1.064800      0.3730000    
 C   -1.348800      0.8115000     -0.2259000    
 C   -2.186900      -1.322000      -1.208000    
 C   -1.288000     -0.3257000      -1.214800    
 C    3.830800      0.1182000      3.9799999E-02
 C    2.596600      0.1647000      0.8894000    
 C    1.355800      0.4598000      5.3199999E-02
 C    4.191000       1.352900     -0.6736000    
 H   -4.656100      6.4800002E-02  0.7380000    
 H   -4.089100      -2.067600     -0.5196000    
 H   -2.690100       1.583700       1.335600    
 H   -1.032000       1.726100     -0.7429000    
 H   -2.115000      -2.103100      -1.958700    
 H  -0.5286000     -0.3107000      -1.991100    
 H    2.729300      0.9365000       1.658500    
 H    2.469900     -0.7885000       1.420400    
 H    1.449200       1.426900     -0.4504000    
 H    1.275300     -0.3189000     -0.7098000    
 H   -3.502700       1.544000      -1.380100    
 H    4.108700       2.227600     -1.9800000E-02
 H    5.222300       1.322400      -1.043600    
 H    3.542800       1.512400      -1.541300    


%chk=000126223-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126223

0 1
S -0.015904 -0.561713 0.482331
O -3.017427 -0.809043 1.468910
O -2.951348 1.858002 -1.242324
N 4.495863 0.046477 -1.321373
N 5.173787 -0.423513 -0.316797
C -3.398589 0.379144 0.638219
C -3.871889 -0.980218 0.191239
C -2.300870 1.045366 -0.186548
C -1.312621 0.034472 -0.814651
C -3.191104 -1.629269 -0.958230
C -1.992927 -1.164563 -1.422295
C 4.025444 0.533798 0.072404
C 2.752993 -0.101519 0.612604
C 1.535281 0.233959 -0.276078
C 4.392998 1.944076 0.480636
H -4.105271 1.069541 1.116899
H -4.900700 -1.281687 0.416071
H -1.744273 1.783050 0.413026
H -0.713774 0.571890 -1.569726
H -3.656210 -2.517616 -1.400349
H -1.474640 -1.681549 -2.237990
H 2.575113 0.260907 1.642956
H 2.869553 -1.200650 0.671067
H 1.372129 1.324500 -0.334488
H 1.677367 -0.166876 -1.294316
H -3.493170 1.250208 -1.811605
H 4.662823 1.981591 1.552972
H 5.249960 2.325468 -0.100213
H 3.541110 2.631269 0.322650


