%chk=000080924.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080924

0 1
 S    2.404300      0.9585000      5.1600002E-02
 O   -2.664300      0.6254000      0.4512000    
 O    2.922500      0.8817000      -1.495800    
 O    2.057400       2.345400      0.3178000    
 O    3.363300      0.2562000      0.8875000    
 N    2.155500      -2.066900     -0.2334000    
 C   0.9254000      2.1299999E-02  8.3099999E-02
 C   0.9418000      -1.366100     -5.9000000E-02
 C  -0.2863000      0.6907000      0.2541000    
 C   -1.481700     -2.7500000E-02  0.2834000    
 C  -0.2537000      -2.084300     -2.9600000E-02
 C   -1.465500      -1.415100      0.1416000    
 C   -3.819100      4.1400000E-02 -0.1494000    
 C   -4.799600       1.139200     -0.5030000    
 H  -0.3294000       1.770500      0.3646000    
 H  -0.2546000      -3.166500     -0.1329000    
 H   -2.370100      -2.014200      0.1866000    
 H   -3.572400     -0.4900000      -1.077200    
 H   -4.281300     -0.6537000      0.5601000    
 H    3.038500      -1.578100     -0.2762000    
 H    2.141400      -3.073100     -0.3371000    
 H   -5.704200      0.7252000     -0.9573000    
 H   -5.081400       1.706700      0.3901000    
 H   -4.346800       1.850500      -1.201800    
 H    2.311300       1.268100      -2.166300    


%chk=000080924-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080924

0 1
S 2.448004 0.987030 0.042464
O -2.672896 0.755244 -0.157981
O 2.693878 1.117555 -1.801653
O 2.160908 2.471246 0.612843
O 3.704553 0.133880 0.638056
N 2.186849 -2.178297 0.081046
C 0.911371 -0.048701 0.006973
C 0.998034 -1.475782 0.008665
C -0.292692 0.675521 -0.050458
C -1.510374 -0.029568 -0.109394
C -0.263238 -2.146254 -0.058492
C -1.481311 -1.451773 -0.121903
C -3.969484 0.051526 -0.223035
C -5.050929 1.126438 -0.280265
H -0.291907 1.769631 -0.036366
H -0.267316 -3.242352 -0.060097
H -2.409339 -2.028729 -0.171351
H -3.995189 -0.593006 -1.126496
H -4.086749 -0.590278 0.675059
H 3.066944 -1.678809 0.250318
H 2.173403 -3.194053 0.070331
H -6.050226 0.656891 -0.328347
H -5.008408 1.769398 0.615144
H -4.919417 1.763253 -1.171331
H 3.476530 1.725288 -1.951030


