%chk=000178153.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178153

0 1
 S   -1.542100      -1.448600      -1.017900    
 O    1.910600      -3.027200       1.148100    
 O  -0.1605000      -3.130600      0.4280000    
 N   0.9423000      -2.543200      0.5178000    
 N    3.771900       1.242800     -0.5070000    
 N    3.841200       1.994400      0.4900000    
 N    3.910800       2.682300       1.398100    
 C   6.6200003E-02 -0.6805000     -0.8382000    
 C    1.100800      -1.279400     -0.1193000    
 C   0.2660000      0.5588000      -1.446600    
 C    2.335100     -0.6389000     -8.9999996E-03
 C   -2.593200     -0.2163000     -0.2672000    
 C    2.534800      0.6003000     -0.6175000    
 C    1.500300       1.199100      -1.336300    
 C   -2.400400      0.1427000       1.065300    
 C   -3.603800      0.3840000      -1.015800    
 C   -3.221600       1.105700       1.651900    
 C   -4.424800       1.347000     -0.4291000    
 C   -4.233700       1.707800      0.9047000    
 H  -0.5194000       1.045000      -2.020200    
 H    3.163300      -1.078300      0.5429000    
 H    1.646800       2.163400      -1.816300    
 H   -1.622300     -0.3177000       1.669000    
 H   -3.767000      0.1158000      -2.056600    
 H   -3.073900       1.385700       2.690900    
 H   -5.212900       1.816300      -1.010800    
 H   -4.873200       2.457500       1.361400    


%chk=000178153-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178153

0 1
S -1.547611 -1.579461 0.182167
O 2.520017 -3.468082 -0.121720
O 0.255688 -3.536045 0.148821
N 1.365272 -2.893372 -0.047158
N 3.770871 1.314889 -0.881752
N 4.538375 1.801502 0.000379
N 5.388742 2.322013 0.643148
C 0.050659 -0.724077 -0.110254
C 1.291464 -1.427786 -0.189501
C 0.107378 0.687100 -0.277682
C 2.520378 -0.761222 -0.411046
C -2.717273 -0.132526 0.207558
C 2.538320 0.634416 -0.553652
C 1.318860 1.359139 -0.499494
C -3.013797 0.501336 1.436528
C -3.392704 0.238239 -0.977784
C -3.985935 1.528151 1.474224
C -4.364893 1.265214 -0.933248
C -4.660088 1.910853 0.290430
H -0.819181 1.265333 -0.235706
H 3.433874 -1.358123 -0.473461
H 1.328203 2.444667 -0.638854
H -2.495093 0.190964 2.349527
H -3.163887 -0.272211 -1.918999
H -4.218714 2.020297 2.424576
H -4.891282 1.553906 -1.849321
H -5.416345 2.702786 0.322574


