%chk=000129862.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129862

0 1
 S   -4.359400      -1.894500      0.3931000    
 O    2.491800     -0.4882000     -0.9748000    
 O    1.648300       2.111600       1.359700    
 O    3.839900       2.148100     -0.2467000    
 O    4.324200      -2.571000     -0.5660000    
 N   0.2753000     -0.3344000     -0.1418000    
 N   -1.115500      -2.032000      0.2610000    
 N   -1.334800       1.463400     -0.4193000    
 N   -3.622200      0.6569000     -0.1483000    
 N   -3.166500       2.906200     -0.6170000    
 N   -5.792000      -1.063100      0.2985000    
 C    2.182000      0.8730000      0.9383000    
 C    1.531800      0.3828000     -0.3464000    
 C    3.637500      0.9637000      0.5241000    
 C    3.792200     -0.2491000     -0.3882000    
 C    4.219100      -1.504100      0.3603000    
 C  -0.9865000      0.1895000     -0.1841000    
 C   0.1441000      -1.672100      0.1283000    
 C   -1.833100     -0.8781000      6.8499997E-02
 C   -3.198100     -0.6091000      8.1900001E-02
 C   -2.678200       1.600500     -0.3811000    
 H    2.061100      0.1449000       1.748800    
 H    1.318700       1.202200      -1.043900    
 H    4.329400      0.9925000       1.370600    
 H    4.480300     -5.9599999E-02  -1.219800    
 H    3.490900      -1.796700       1.123100    
 H    5.193200      -1.365400      0.8384000    
 H    1.807200       2.762800      0.6553000    
 H    4.768900       2.151300     -0.5345000    
 H   0.9938000      -2.334500      0.2222000    
 H    3.453800      -2.681600     -0.9857000    
 H   -2.512800       3.655700     -0.7971000    
 H   -4.163000       3.073900     -0.6017000    
 H   -5.946400     -0.7275000     -0.6514000    
 H   -6.572900      -1.683900      0.5061000    


%chk=000129862-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129862

0 1
S -4.581162 -1.910123 0.632992
O 2.309871 -0.388098 -0.878325
O 1.949126 1.817652 2.071156
O 3.779679 2.272071 0.218559
O 4.183196 -2.400482 -1.377423
N 0.233653 -0.296505 0.294883
N -1.207211 -1.962595 0.956858
N -1.399719 1.306276 -0.643895
N -3.713587 0.479960 -0.452235
N -3.227204 2.556636 -1.424802
N -6.098674 -1.139004 0.113561
C 2.360438 0.685339 1.278929
C 1.460826 0.423570 0.032858
C 3.762476 0.858197 0.634178
C 3.750878 -0.115879 -0.562659
C 4.404237 -1.477001 -0.270450
C -1.051202 0.143392 -0.046397
C 0.070925 -1.570926 0.889343
C -1.932259 -0.898376 0.379492
C -3.308736 -0.665621 0.142199
C -2.757765 1.412620 -0.821459
H 2.345553 -0.189028 1.951483
H 1.181606 1.378951 -0.450136
H 4.583419 0.649883 1.347127
H 4.203548 0.336313 -1.465030
H 4.006812 -1.890635 0.683754
H 5.500155 -1.373003 -0.183834
H 2.294265 2.630388 1.609345
H 4.677304 2.537917 -0.095458
H 0.918356 -2.164906 1.222890
H 3.212517 -2.383930 -1.588767
H -2.566588 3.272920 -1.712281
H -4.226328 2.666261 -1.569926
H -6.135870 -1.005559 -0.904929
H -6.280434 -0.262575 0.618797


