%chk=000051626.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051626

0 1
 S   0.9929000      0.9638000      0.1388000    
 O   -1.890000       1.996800      -1.064700    
 O   -2.467400      -2.137000     -0.2438000    
 O    4.559800     -0.5374000     -2.5500000E-02
 O    3.850200       1.535200      0.1719000    
 N   -1.438500     -1.1900000E-02  6.6200003E-02
 N   -3.700200     -0.1989000      0.2342000    
 N   0.4141000      -1.545300     -8.8500001E-02
 N    3.615000      0.2982000      5.9200000E-02
 C   -1.963400       1.342300      0.1954000    
 C   -3.415500       1.159500      0.6035000    
 C   -2.523900     -0.9359000     -1.2200000E-02
 C  -0.1141000     -0.3447000      2.6400000E-02
 C    2.290300     -0.1522000      2.7200000E-02
 C    1.790600      -1.432400     -8.8299997E-02
 H   -1.437800       1.938700      0.9478000    
 H   -3.542200       1.226200       1.688500    
 H   -4.112700       1.833500      9.9399999E-02
 H   -4.625600     -0.6153000      0.2597000    
 H   -2.274000       1.394000      -1.723800    
 H    2.385200      -2.332500     -0.1760000    


%chk=000051626-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051626

0 1
S 1.055362 1.104500 -0.346094
O -1.825956 2.241631 -0.798043
O -2.392830 -2.159919 -0.551899
O 4.594276 -0.757622 0.008168
O 4.034577 1.420854 -0.471533
N -1.489947 -0.007091 0.114194
N -3.725628 -0.295298 0.066055
N 0.428513 -1.444080 0.351802
N 3.732318 0.190983 -0.183971
C -2.046907 1.345290 0.330444
C -3.544977 1.046443 0.632722
C -2.539232 -0.987839 -0.161040
C -0.131723 -0.263144 0.089881
C 2.338329 -0.142392 -0.075047
C 1.807993 -1.387112 0.248908
H -1.535591 1.858186 1.158718
H -3.733393 1.063012 1.723215
H -4.184925 1.803310 0.149050
H -4.619500 -0.776129 -0.009343
H -2.236172 1.867655 -1.621745
H 2.408215 -2.276536 0.440958


