%chk=000093448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093448

0 1
 S    3.840400     -0.1971000      0.1714000    
 O  -6.0600001E-02 -0.2354000      0.2209000    
 O   -2.772900      -1.607000      -1.091400    
 O  -0.6920000       1.963900      5.6600001E-02
 N   -2.300400      0.2908000      0.2092000    
 N    1.224700      0.3171000      0.1641000    
 C   -2.622600      -1.133100      0.2376000    
 C   -3.425100       1.213500      0.1439000    
 C  -0.9875000      0.7740000      0.1572000    
 C    2.128900     -0.6092000      0.2220000    
 C    1.838100      -2.084500      0.3366000    
 C    3.829000       1.306800     -0.8283000    
 H   -1.830900      -1.708300      0.7254000    
 H   -3.555700      -1.291400      0.7865000    
 H   -3.092000       2.254200      0.1241000    
 H   -4.058900       1.060200       1.022100    
 H   -3.998500       1.005800     -0.7641000    
 H    1.271100      -2.271900       1.253500    
 H    1.239500      -2.403800     -0.5220000    
 H    2.749400      -2.687900      0.3650000    
 H   -1.977200      -1.334400      -1.578700    
 H    3.300300       2.110400     -0.3087000    
 H    3.349600       1.120500      -1.793100    
 H    4.858200       1.629200      -1.007200    


%chk=000093448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093448

0 1
S 3.859644 -0.423872 -0.318354
O -0.136504 -0.218827 -0.069027
O -2.479540 -1.980326 -0.275660
O -0.787107 2.016882 -0.612505
N -2.313981 0.422382 0.221981
N 1.273196 0.266205 -0.163185
C -2.499031 -0.937042 0.749076
C -3.505551 1.234841 -0.093429
C -1.068708 0.883683 -0.182117
C 2.075975 -0.773665 -0.217076
C 1.711039 -2.238721 -0.218459
C 3.868506 1.460320 -0.343700
H -1.729538 -1.127370 1.518944
H -3.504811 -0.998113 1.190969
H -3.177644 2.175684 -0.560425
H -4.067171 1.472009 0.828205
H -4.166966 0.690983 -0.792308
H 1.068078 -2.474656 0.647993
H 1.143955 -2.486591 -1.134818
H 2.608606 -2.876375 -0.181464
H -1.558353 -2.015031 -0.644276
H 3.436299 1.843790 0.590994
H 3.277960 1.818851 -1.198251
H 4.926549 1.747360 -0.440508


