%chk=000178510.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178510

0 1
 S    3.902800      0.4800000      0.4878000    
 O   -2.148200       2.126200      -1.047800    
 O   -2.951500       1.666000      0.9506000    
 N   0.2371000      -1.223400      0.3462000    
 N   -1.858200      -1.045000     -0.4514000    
 N   -2.058700       1.623100      8.6000003E-02
 C  -7.0100002E-02  -2.556800     -0.1838000    
 C   -1.557400      -2.454000     -0.6164000    
 C    1.562600     -0.9176000      0.8265000    
 C  -0.8207000     -0.3527000      0.1267000    
 C    2.231600      8.5699998E-02 -0.1046000    
 C  -0.8585000      0.9567000      0.4149000    
 C    4.389100       1.611800     -0.8347000    
 H   6.7100003E-02  -3.333400      0.5756000    
 H   0.5660000      -2.782800      -1.046900    
 H   -1.695000      -2.775600      -1.653100    
 H   -2.195200      -3.059800      3.5100002E-02
 H    2.159500      -1.835900      0.8938000    
 H    1.489300     -0.5109000       1.842900    
 H   -2.749100     -0.6296000     -0.6862000    
 H    1.686800       1.026800     -0.1812000    
 H    2.306800     -0.3382000      -1.112500    
 H  -0.1299000       1.592100      0.8903000    
 H    4.372400       1.099900      -1.800400    
 H    5.405800       1.967700     -0.6483000    
 H    3.719300       2.475300     -0.8636000    


%chk=000178510-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178510

0 1
S 3.956025 0.445839 0.588928
O -3.301288 1.101447 -0.265516
O -2.299248 2.901359 0.751584
N 0.153607 -1.212874 0.324338
N -1.907524 -1.115780 -0.571245
N -2.257312 1.670027 0.332520
C -0.000276 -2.492370 -0.419396
C -1.530635 -2.535278 -0.709743
C 1.443598 -0.754038 0.847641
C -0.951776 -0.400067 0.104562
C 2.303078 -0.019064 -0.208098
C -1.069964 0.936719 0.519099
C 4.615656 1.570185 -0.769685
H 0.335412 -3.345014 0.195293
H 0.589220 -2.479726 -1.359161
H -1.752754 -2.916456 -1.720270
H -2.064299 -3.163758 0.030544
H 1.991739 -1.636304 1.226979
H 1.269600 -0.089308 1.713586
H -2.822069 -0.656524 -0.708164
H 1.801774 0.906290 -0.540402
H 2.497946 -0.663511 -1.083309
H -0.270544 1.477878 1.018305
H 4.737663 1.008547 -1.709393
H 5.597383 1.930925 -0.426046
H 3.938686 2.426457 -0.917449


