%chk=000016420.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016420

0 1
 S   -4.089200       1.146600      0.3391000    
 O    4.568000      0.8877000     -0.2962000    
 O    4.433900      -1.245300      0.2051000    
 N   -2.539200     -0.8343000     -0.2573000    
 N    3.894400     -0.1381000     -3.4499999E-02
 N   -4.854700      -1.291100     -0.3999000    
 C  -0.3051000      0.1446000      4.3299999E-02
 C   -1.737600      0.2410000      6.9600001E-02
 C   0.4644000       1.271500     -0.2451000    
 C   0.3166000      -1.076200      0.3060000    
 C    2.477900     -4.2900000E-02 -8.2999999E-03
 C    1.855900       1.177800     -0.2710000    
 C    1.708200      -1.170000      0.2802000    
 C   -2.395000       1.400900      0.4193000    
 C   -3.798400     -0.4722000     -0.1502000    
 H   1.6300000E-02   2.235300     -0.4726000    
 H  -0.2619000      -1.967100      0.5381000    
 H    2.423500       2.075300     -0.5033000    
 H    2.158300      -2.136700      0.4909000    
 H   -2.001700       2.361100      0.7237000    
 H   -4.726700      -2.254700     -0.6911000    
 H   -5.813000     -0.9714000     -0.3050000    


%chk=000016420-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016420

0 1
S -4.271246 1.271240 -0.052328
O 4.690504 0.841098 0.040451
O 4.444140 -1.428800 0.041808
N -2.563921 -0.805036 -0.032042
N 3.961185 -0.228377 0.034756
N -4.861154 -1.478617 -0.056825
C -0.309123 0.243448 -0.009396
C -1.777931 0.370389 -0.025174
C 0.547818 1.382009 -0.003435
C 0.276836 -1.055151 -0.000020
C 2.493326 -0.068465 0.019868
C 1.943174 1.234910 0.011119
C 1.672012 -1.218434 0.014640
C -2.497948 1.560629 -0.032948
C -3.857024 -0.543550 -0.045957
H 0.123739 2.391061 -0.009922
H -0.389474 -1.921761 -0.004587
H 2.613634 2.098120 0.015732
H 2.135165 -2.208481 0.021901
H -2.133894 2.584998 -0.029637
H -4.602986 -2.463100 -0.055150
H -5.841932 -1.216331 -0.062055


