%chk=000057214.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057214

0 1
 S   0.9361000      0.1688000     -0.9084000    
 O   -3.353500     -0.4446000       1.220600    
 O    2.505700     -0.9123000      0.9138000    
 N   -2.234800      3.5399999E-02 -0.7648000    
 N    4.683000      0.6430000      0.4796000    
 C   -1.478500      -1.183200     -0.8691000    
 C  -0.1218000      -1.102500     -0.1827000    
 C   -3.112900      0.3033000      0.2765000    
 C    2.413600     -6.1600000E-02  3.7500001E-02
 C    3.517100      0.8941000     -0.3577000    
 C   -3.753900       1.659800      0.1547000    
 H   -2.060800      -1.996700     -0.4217000    
 H   -1.365000      -1.410000      -1.935300    
 H  -0.2547000     -0.8831000      0.8824000    
 H   0.3778000      -2.073300     -0.2688000    
 H   -2.098700      0.7370000      -1.486800    
 H    3.183700       1.926400     -0.2147000    
 H    3.783600      0.7392000      -1.407600    
 H   -4.599400       1.730700      0.8445000    
 H   -3.020200       2.431800      0.4022000    
 H   -4.119700       1.817900     -0.8639000    
 H    4.985500     -0.3243000      0.3714000    
 H    4.436300      0.7607000       1.461500    


%chk=000057214-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057214

0 1
S 0.949808 0.789909 0.937049
O -3.937272 -0.876297 0.137124
O 2.389460 -1.334057 -0.073195
N -1.955568 0.209006 -0.426697
N 4.744898 0.219930 -0.782389
C -1.092219 -0.930918 -0.097135
C -0.220845 -0.692073 1.147192
C -3.335956 0.162075 -0.276089
C 2.393802 -0.104614 0.137752
C 3.563837 0.850602 -0.213384
C -4.080592 1.440785 -0.651504
H -1.767440 -1.785092 0.096315
H -0.447474 -1.186232 -0.958309
H -0.827800 -0.460315 2.036395
H 0.424573 -1.566359 1.337256
H -1.508131 1.077273 -0.725964
H 3.833257 1.399632 0.709170
H 3.165704 1.612244 -0.911879
H -4.779864 1.219602 -1.476428
H -4.686890 1.769780 0.209621
H -3.415638 2.266386 -0.959289
H 4.592874 -0.224441 -1.692112
H 5.245977 -0.400325 -0.140300


