%chk=000011613.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011613

0 1
 S   -3.617100     -0.2764000      0.1743000    
 N  -0.8982000     -0.2400000     -0.3407000    
 C    1.301800      0.8177000     -0.1864000    
 C    1.986500     -0.4458000      0.3398000    
 C  -0.1658000      0.8971000      0.2188000    
 C    3.444100     -0.5075000     -8.9900002E-02
 C   -2.051400     -0.2450000     -0.1159000    
 H    1.824900       1.703400      0.1934000    
 H    1.378300      0.8429000      -1.280700    
 H    1.475500      -1.341800     -2.9999999E-02
 H    1.931200     -0.4690000       1.434300    
 H  -0.2413000      0.9060000       1.314400    
 H  -0.5802000       1.843800     -0.1532000    
 H    3.531300     -0.5204000      -1.181000    
 H    4.001800      0.3545000      0.2898000    
 H    3.915900      -1.415300      0.2994000    


%chk=000011613-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000011613

0 1
S -3.093155 -1.550130 -0.565917
N -1.082844 0.348279 0.094373
C 1.319326 0.938424 -0.153790
C 1.890319 -0.385578 0.397911
C -0.071057 1.306749 0.424378
C 3.280237 -0.714015 -0.187641
C -1.934544 -0.458521 -0.182140
H 2.005437 1.774577 0.090353
H 1.251639 0.888939 -1.257842
H 1.187706 -1.210876 0.171062
H 1.955400 -0.323263 1.503310
H -0.003854 1.384234 1.528974
H -0.384666 2.300079 0.045530
H 3.233547 -0.812405 -1.288486
H 4.012059 0.081677 0.048043
H 3.671750 -1.663970 0.218282


