%chk=000087309.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087309

0 1
 S  -0.7869000     -0.4442000      0.2703000    
 O  -0.9492000     -0.7700000       1.720900    
 O    2.099100      -1.739500      4.1800000E-02
 O    2.882500     -0.2581000      -1.495200    
 N    2.688200       1.709000      0.4344000    
 C   0.3670000      0.9645000      0.1672000    
 C    1.791600      0.5551000      0.5319000    
 C   -2.241800      0.4934000     -0.2513000    
 C   -3.472500     -0.4010000     -0.2873000    
 C   -4.709500      0.3777000     -0.7053000    
 C    2.331400     -0.4869000     -0.4274000    
 H   6.3999998E-03   1.749700      0.8408000    
 H   0.3236000       1.340800     -0.8616000    
 H    1.844600      0.1667000       1.555300    
 H   -2.390700       1.323700      0.4471000    
 H   -2.045600      0.9059000      -1.246400    
 H   -3.316300      -1.231500     -0.9865000    
 H   -3.648700     -0.8464000      0.6993000    
 H   -5.583000     -0.2815000     -0.7266000    
 H   -4.915900       1.192400     -4.0000002E-03
 H   -4.583800      0.8071000      -1.704400    
 H    2.685500       2.077500     -0.5160000    
 H    3.645800       1.424500      0.6361000    
 H    2.430100      -2.427900     -0.5738000    


%chk=000087309-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087309

0 1
S -1.093238 -0.897270 -1.440015
O -0.908050 -1.888534 -0.084516
O 3.374618 0.145170 1.037734
O 3.307536 -1.044794 -0.954640
N 0.780579 1.043457 0.822590
C 0.653867 0.055070 -1.456077
C 1.204800 -0.073133 -0.037644
C -2.159637 0.580360 -0.754316
C -3.451705 0.023540 -0.149488
C -4.264982 1.138471 0.549619
C 2.704646 -0.380937 -0.080988
H 0.426457 1.087752 -1.759590
H 1.257254 -0.479856 -2.204763
H 0.697905 -1.009040 0.367831
H -1.496670 1.057574 -0.009684
H -2.324998 1.241481 -1.624991
H -4.071099 -0.456708 -0.932306
H -3.182546 -0.763513 0.580345
H -5.190778 0.724952 0.988783
H -3.680381 1.602518 1.365244
H -4.552835 1.937007 -0.159376
H 1.338963 1.895351 0.690723
H 0.750418 0.786959 1.814912
H 4.331776 -0.124878 0.989914


