%chk=000066798.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066798

0 1
 S    2.924700     -0.4647000     -0.2730000    
 O    3.373000      -1.010900       1.201300    
 O    2.661000      -1.635600      -1.097000    
 O    3.890700      0.5372000     -0.6961000    
 N   -2.220200     -0.3750000     -2.7000001E-03
 C   -1.002700      0.3304000      9.5600002E-02
 C   -3.481800      0.3059000      0.2096000    
 C   -2.225900      -1.786700     -0.3308000    
 C   0.2068000     -0.3332000     -0.1109000    
 C    1.410600      0.3649000     -1.4300000E-02
 C   -1.008300       1.692000      0.3987000    
 C   -4.009300      0.9007000      -1.085100    
 C   -2.118600      -2.641600      0.9205000    
 C    1.404700       1.726600      0.2888000    
 C   0.1953000       2.390100      0.4953000    
 H   -4.224300     -0.4255000      0.5571000    
 H   -3.454200       1.044200       1.017500    
 H   -3.182400      -2.034800     -0.8107000    
 H   -1.483200      -2.067600      -1.084800    
 H   0.2577000      -1.394800     -0.3210000    
 H   -1.911400       2.271000      0.5538000    
 H   -3.334500       1.665000      -1.482800    
 H   -4.129500      0.1307000      -1.854600    
 H   -4.985700       1.366200     -0.9175000    
 H   -1.173400      -2.473500       1.445700    
 H   -2.931300      -2.421100       1.620800    
 H   -2.176100      -3.703000      0.6597000    
 H    2.329500       2.289800      0.3760000    
 H   0.1916000       3.450800      0.7292000    
 H    2.752400      -1.652000       1.621200    


%chk=000066798-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000066798

0 1
S 2.953795 -0.559453 -0.177575
O 3.243580 -0.893684 1.632017
O 2.679588 -1.975589 -0.914840
O 4.139802 0.409941 -0.699662
N -2.287865 -0.368020 -0.039416
C -1.081028 0.321695 0.067946
C -3.583617 0.295388 0.213412
C -2.328633 -1.800980 -0.403590
C 0.173479 -0.358755 -0.069252
C 1.349900 0.387457 0.039466
C -1.031542 1.735149 0.319813
C -4.171294 1.004591 -1.029156
C -2.160451 -2.754531 0.802244
C 1.432782 1.765306 0.284883
C 0.189314 2.426825 0.424095
H -4.291995 -0.478173 0.564071
H -3.476783 1.010542 1.050313
H -3.301767 -1.993780 -0.892634
H -1.558113 -2.009896 -1.168934
H 0.239003 -1.432592 -0.260475
H -1.958575 2.306256 0.415783
H -3.494462 1.794739 -1.398289
H -4.329651 0.285165 -1.852580
H -5.145530 1.467651 -0.785773
H -1.192875 -2.596617 1.309312
H -2.962179 -2.594493 1.545814
H -2.206042 -3.807619 0.468854
H 2.391158 2.285981 0.345088
H 0.174577 3.505902 0.610920
H 4.140624 -1.332908 1.707644