%chk=000052733.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052733

0 1
 S    2.433500       1.294000      0.2713000    
 O   -3.722400      -1.065200      0.6070000    
 N   -1.274000      0.1045000     -0.1735000    
 C   -2.516600      0.8790000     -0.1142000    
 C   -3.691500     -4.3800000E-02 -0.3814000    
 C    1.112300      0.2578000      4.3000001E-03
 C  -0.2245000      0.8261000      2.0400001E-02
 C    1.469500      -1.039800     -0.2026000    
 C    2.883700      -1.201300     -0.1414000    
 C    3.530000     -1.1300000E-02  0.1101000    
 H   -2.623700       1.325500      0.8822000    
 H   -2.509400       1.679900     -0.8630000    
 H   -3.599500     -0.5248000      -1.360100    
 H   -4.638400      0.5038000     -0.3505000    
 H  -0.3121000       1.913000      0.2080000    
 H   0.7742000      -1.848300     -0.3896000    
 H    3.400800      -2.142600     -0.2751000    
 H    4.593800      0.1541000      0.2068000    
 H   -3.825200     -0.6333000       1.472200    


%chk=000052733-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052733

0 1
S 2.218499 0.788148 1.290620
O -3.337047 -0.468594 1.364666
N -1.258716 0.315744 -0.755415
C -2.619950 0.857592 -0.644187
C -3.582353 -0.202370 -0.057354
C 0.999291 0.181225 0.090680
C -0.359929 0.710976 0.109508
C 1.569461 -0.776418 -0.747854
C 2.952544 -1.042733 -0.466841
C 3.458371 -0.294370 0.589619
H -2.684578 1.785017 -0.020689
H -2.972283 1.107064 -1.664319
H -3.417172 -1.169141 -0.558355
H -4.631285 0.121844 -0.229169
H -0.582821 1.468474 0.893873
H 0.986660 -1.259555 -1.534658
H 3.556152 -1.763629 -1.023390
H 4.460561 -0.295276 1.014280
H -3.494905 0.363303 1.879883


