%chk=000094464.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094464

0 1
 S    2.256200     -0.5140000     -9.5899999E-02
 O    1.875300      -1.779500     -0.7141000    
 O    3.258400      0.3420000     -0.7194000    
 N  -0.5588000      -1.492100     -4.2399999E-02
 N    2.757900     -0.8490000       1.513100    
 C   0.7947000      0.4569000     -4.0100001E-02
 C  -0.4582000     -0.1496000     -2.0000000E-02
 C   -1.597200      0.6815000      2.3600001E-02
 C   0.9362000       1.846600     -1.8200001E-02
 C   -1.455200       2.079400      4.5600001E-02
 C  -0.1899000       2.659200      2.4700001E-02
 C   -2.858700      7.1500003E-02  4.3800000E-02
 C   -2.965500      -1.311600      2.1000000E-02
 C   -1.794900      -2.041400     -2.1600001E-02
 H    1.913200       2.321100     -2.1400001E-02
 H   -2.330300       2.724600      7.9899997E-02
 H  -8.4500000E-02   3.739600      4.4700000E-02
 H   -3.765300      0.6713000      7.7299997E-02
 H   -3.932800      -1.799700      3.5999998E-02
 H   -1.816100      -3.126000     -4.1099999E-02
 H    3.644300     -0.4128000       1.800800    
 H    2.041500     -0.7262000       2.241600    


%chk=000094464-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094464

0 1
S 2.487269 -0.315346 -0.101966
O 2.503056 -1.130198 -1.495787
O 3.656664 0.754803 0.271757
N -0.408352 -1.392552 0.354936
N 2.431049 -1.508372 1.242767
C 0.845307 0.667389 -0.025946
C -0.395598 -0.023963 0.115405
C -1.609470 0.764463 0.024935
C 0.931163 2.042382 -0.202264
C -1.518258 2.181001 -0.169928
C -0.275377 2.809947 -0.265602
C -2.855484 0.065485 0.136450
C -2.856311 -1.315873 0.336405
C -1.605446 -2.002166 0.452505
H 1.915234 2.516791 -0.286653
H -2.442057 2.767140 -0.239365
H -0.212608 3.893688 -0.404458
H -3.795009 0.625115 0.064149
H -3.789660 -1.879737 0.419584
H -1.584701 -3.081922 0.637456
H 2.749151 -1.083519 2.124194
H 1.499737 -1.962758 1.229323


