%chk=000095127.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095127

0 1
 S    1.079300      0.5721000      0.6130000    
 O   -2.458800       1.624600      0.4360000    
 O   -1.961800      0.5184000      -1.481100    
 N   -2.285700      -1.744900      0.3732000    
 C    2.659700     -0.1956000      0.1923000    
 C   8.5000005E-03 -0.8768000      0.3452000    
 C   -1.462000     -0.5607000      0.6248000    
 C    2.619200     -0.7009000      -1.244900    
 C    3.788900      0.8067000      0.3979000    
 C   -1.987400      0.5570000     -0.2565000    
 H    2.830200      -1.040500      0.8690000    
 H   0.3505000      -1.692000      0.9923000    
 H   9.1499999E-02  -1.198900     -0.6963000    
 H   -1.584300     -0.2742000       1.676600    
 H    3.628400     -0.9809000      -1.570600    
 H    2.016200      -1.606300      -1.355400    
 H    2.256600      5.8800001E-02  -1.946500    
 H    4.757000      0.3424000      0.1788000    
 H    3.826400       1.160300       1.434500    
 H    3.685800       1.677500     -0.2597000    
 H   -3.246400      -1.559900      0.6600000    
 H   -1.960600      -2.517000      0.9538000    
 H   -2.775900       2.336300     -0.1600000    


%chk=000095127-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095127

0 1
S 1.285637 0.296839 1.176612
O -2.831074 0.957653 -0.557613
O -1.014301 0.022909 -1.657277
N -2.426871 -1.511115 0.930144
C 2.694881 -0.257141 -0.009457
C 0.002129 -1.056671 0.846238
C -1.408202 -0.447003 0.772361
C 2.393754 0.156038 -1.459311
C 3.999995 0.354056 0.530140
C -1.663330 0.178816 -0.605154
H 2.730136 -1.358500 0.084608
H 0.053479 -1.788453 1.671052
H 0.249413 -1.556524 -0.103716
H -1.496157 0.368805 1.527237
H 3.168196 -0.253701 -2.138154
H 1.405014 -0.200556 -1.794410
H 2.399990 1.257305 -1.552386
H 4.845189 0.067906 -0.123999
H 4.216032 0.008407 1.555867
H 3.942084 1.458284 0.540832
H -3.392714 -1.173300 0.887271
H -2.252301 -2.138101 1.720103
H -3.025678 1.319548 -1.464588


