%chk=000141009.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000141009

0 1
 S    2.666100      0.4735000      -1.306900    
 S   0.9976000       2.752500     -0.3019000    
 O   -1.514200     -0.1184000     -0.3354000    
 O    1.124600      -2.146700       1.038200    
 O   -2.525300      0.4336000       1.656400    
 N   0.9219000      0.1366000      0.5582000    
 C  -0.1286000      0.4138000       1.535900    
 C    1.449900      -1.143400      0.4089000    
 C    2.514800      -1.192300     -0.6500000    
 C    1.429300       1.137600     -0.2543000    
 C   -1.521700      0.2490000      0.9755000    
 C   -2.800100     -0.2957000     -0.9389000    
 C   -2.614300     -0.7000000      -2.385700    
 H  -2.7799999E-02 -0.3039000       2.357700    
 H  -2.9400000E-02   1.423700       1.941300    
 H    3.460200      -1.512000     -0.2045000    
 H    2.214400      -1.885500      -1.439600    
 H   -3.349800      -1.077800     -0.4035000    
 H   -3.360400      0.6445000     -0.8863000    
 H   -3.579500     -0.8442000      -2.879000    
 H   -2.049200      6.4300001E-02  -2.929500    
 H   -2.038900      -1.629100      -2.455000    


%chk=000141009-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000141009

0 1
S 2.704057 0.606963 -1.357409
S 0.861460 2.779418 -0.154126
O -1.535580 -0.190177 -0.320014
O 1.199164 -2.159502 1.081477
O -2.528354 0.729025 1.581891
N 0.968711 0.134224 0.600093
C -0.113101 0.315697 1.574681
C 1.531278 -1.153432 0.411635
C 2.584948 -1.154956 -0.690198
C 1.410800 1.193339 -0.206585
C -1.519676 0.330255 0.962180
C -2.874123 -0.228409 -0.997889
C -2.646763 -0.816737 -2.385016
H -0.058055 -0.526804 2.288132
H 0.025925 1.266207 2.114669
H 3.557753 -1.470941 -0.282811
H 2.281308 -1.841083 -1.496136
H -3.552237 -0.840994 -0.377250
H -3.266678 0.803529 -1.029283
H -3.606895 -0.862181 -2.930441
H -1.946522 -0.193951 -2.967112
H -2.237820 -1.839388 -2.318889


