%chk=000116338.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116338

0 1
 S   -3.129900      0.5690000     -0.8757000    
 S    3.121800      0.4884000     -0.8614000    
 O  -8.6700000E-02  -2.449200       1.227300    
 N   -1.215100      -1.937000     -0.7343000    
 N    1.083300      -1.958600     -0.7172000    
 N   -3.833600       3.094600     -0.6211000    
 N    4.084400       2.931800     -0.6547000    
 N   -3.971000       1.786800       1.340800    
 N    4.129700       1.638800       1.321300    
 C   -2.551400      -2.063900     -0.2019000    
 C    2.413100      -2.108500     -0.1731000    
 C   -3.092200     -0.7589000      0.3666000    
 C    2.971400     -0.8131000      0.4001000    
 C  -7.3299997E-02  -2.143600      3.5700001E-02
 C   -3.704700       1.929900      8.1900001E-02
 C    3.854200       1.793500      6.5800004E-02
 H   -2.549800      -2.829600      0.5819000    
 H   -3.190900      -2.427100      -1.014200    
 H    3.053900      -2.489200     -0.9764000    
 H    2.385800      -2.870500      0.6140000    
 H   -2.459700     -0.4381000       1.201700    
 H   -4.106000     -0.9224000      0.7465000    
 H    3.960800      -1.012900      0.8247000    
 H    2.319500     -0.4497000       1.202000    
 H   -1.106800      -1.673900      -1.708900    
 H   0.9914000      -1.693900      -1.693000    
 H   -3.608200       3.140600      -1.608800    
 H   -4.157100       3.947300     -0.1774000    
 H    3.843200       2.989700      -1.638100    
 H    4.501200       3.752300     -0.2286000    
 H   -4.290200       2.686800       1.715700    
 H    4.546200       2.505800       1.677900    


%chk=000116338-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116338

0 1
S -3.442416 1.506204 0.451187
S 3.513096 1.269151 0.542071
O -0.039202 -2.411229 0.991267
N -1.191095 -0.749088 -0.194351
N 1.158227 -0.830044 -0.257211
N -5.482374 2.385531 -1.060608
N 5.570947 2.190050 -0.919340
N -5.589862 0.032816 -0.428811
N 5.586746 -0.210298 -0.491021
C -2.515876 -1.191512 0.247142
C 2.468580 -1.360287 0.127086
C -3.197697 -0.211391 1.215716
C 3.205180 -0.494769 1.163248
C -0.025321 -1.389574 0.230505
C -5.044868 1.216219 -0.444002
C 5.091221 0.991434 -0.397197
H -2.367114 -2.158055 0.762640
H -3.182665 -1.357033 -0.618140
H 3.113832 -1.479530 -0.761285
H 2.287731 -2.358307 0.566339
H -2.593683 -0.033442 2.120348
H -4.208796 -0.566787 1.473393
H 4.203218 -0.912890 1.373622
H 2.620644 -0.370793 2.089385
H -1.145798 0.086063 -0.780586
H 1.142798 0.037808 -0.795573
H -4.986012 3.266291 -0.935672
H -6.331701 2.382090 -1.621847
H 5.114600 3.076823 -0.711783
H 6.413468 2.199299 -1.490670
H -6.497384 -0.051795 -0.923164
H 6.484876 -0.287757 -1.003589


