%chk=000048544.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048544

0 1
 S   -2.421500     -0.1008000      0.4934000    
 O   5.1300000E-02 -0.7621000       2.092900    
 O    1.451200     -0.2872000      -2.364100    
 O    2.713300       2.755700      0.8304000    
 N    1.299900       1.048100       1.440100    
 N    1.998700       1.285800     -0.7865000    
 C   0.2041000     -0.3101000     -0.2846000    
 C   -1.086100      0.4649000     -0.6070000    
 C  -3.2600001E-02  -1.809200     -0.5187000    
 C   0.5145000     -6.7100003E-02   1.189000    
 C    1.278500      0.1924000      -1.243800    
 C   -1.489300      0.2711000      -2.059400    
 C    1.148900      -2.607000     -7.7000000E-02
 C    2.037300       1.775500      0.5135000    
 C   -3.738000      0.9690000     -0.1282000    
 C   -5.029700      0.7175000      0.6262000    
 C    1.099300      -3.536600      0.8837000    
 H  -0.9350000       1.535900     -0.4215000    
 H  -0.1846000      -2.036800      -1.580900    
 H  -0.9160000      -2.197800     -2.3000001E-03
 H   -1.846300     -0.7397000      -2.282900    
 H   -2.284300      0.9668000      -2.346100    
 H  -0.6941000      0.5122000      -2.767400    
 H    1.411200       1.315100       2.414200    
 H    2.625100       1.728000      -1.453400    
 H    2.098200      -2.440300     -0.5792000    
 H   -3.444200       2.017800     -2.3800001E-02
 H   -3.945300      0.7583000      -1.179200    
 H   -5.368500     -0.3181000      0.5124000    
 H   -4.919100      0.9320000       1.694700    
 H   -5.821100       1.368400      0.2395000    
 H    1.990000      -4.093000       1.154600    
 H   0.1807000      -3.759300       1.415000    


%chk=000048544-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048544

0 1
S -2.620992 -0.158933 0.378987
O -0.083380 -1.012009 2.110650
O 1.673529 -0.249858 -2.243645
O 2.243508 2.883623 1.137697
N 0.925046 0.998585 1.571633
N 1.855948 1.336333 -0.572281
C 0.159578 -0.485694 -0.298062
C -1.158628 0.273804 -0.786118
C 0.099020 -2.020566 -0.563138
C 0.319981 -0.230530 1.219802
C 1.298896 0.163301 -1.116528
C -1.526748 -0.005087 -2.254574
C 1.408791 -2.734539 -0.280017
C 1.699202 1.823571 0.741933
C -3.844481 1.172541 -0.208382
C -5.002663 1.254823 0.797171
C 1.616332 -3.577843 0.761167
H -0.992266 1.358820 -0.636419
H -0.166355 -2.169699 -1.624108
H -0.708404 -2.436810 0.062897
H -1.913390 -1.030104 -2.378686
H -2.317762 0.692521 -2.580158
H -0.660260 0.126841 -2.927308
H 0.902836 1.258482 2.563075
H 2.517112 1.855239 -1.159691
H 2.218698 -2.550293 -1.000827
H -3.295391 2.129868 -0.264967
H -4.207854 0.901547 -1.213748
H -5.531928 0.288729 0.879476
H -4.639785 1.534187 1.801541
H -5.734586 2.015864 0.468980
H 2.579661 -4.080991 0.904778
H 0.833236 -3.776322 1.502469


