%chk=000008808.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008808

0 1
 S   -3.817000     -3.5100002E-02 -0.1240000    
 O   -4.219200     -0.1478000      -1.700100    
 O   -4.234400       1.272700      0.3455000    
 O   -4.276900      -1.242600      0.5363000    
 N    3.937700     -5.5000000E-02 -0.2383000    
 N   -1.572200      0.1540000      0.7330000    
 N   -2.199900     -7.7399999E-02 -0.3236000    
 C    2.549500     -2.0999999E-03  6.2000002E-03
 C    1.862400       1.204100     -0.1308000    
 C    1.863700      -1.156200      0.3852000    
 C  -0.1960000      0.1024000      0.4901000    
 C   0.4897000       1.256400      0.1112000    
 C   0.4909000      -1.103900      0.6271000    
 C    4.770300       1.106200      4.0000002E-03
 C    4.551600      -1.275700     -0.7219000    
 H    2.363900       2.118200     -0.4358000    
 H    2.370100      -2.108700      0.5130000    
 H  -3.7400000E-02   2.200400       0.000000    
 H  -3.4400001E-02  -2.007600      0.9253000    
 H    4.687600       1.821900     -0.8207000    
 H    5.825800      0.8250000      9.0599999E-02
 H    4.499800       1.605300      0.9414000    
 H    5.530200      -1.074100      -1.171900    
 H    3.941400      -1.752200      -1.497600    
 H    4.706500      -1.984000      9.8800004E-02
 H   -3.854800      0.5614000      -2.280100    


%chk=000008808-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008808

0 1
S -4.117133 0.569884 -0.806012
O -4.621516 -0.132352 0.863996
O -4.690705 2.090306 -0.843013
O -2.389034 0.791269 -0.551533
N 3.914551 0.143643 0.166055
N -1.504027 -0.914625 -1.049577
N -2.161323 -1.804133 -1.483122
C 2.581999 -0.100508 -0.126669
C 1.579317 0.911973 0.061715
C 2.156214 -1.379589 -0.630210
C -0.155808 -0.599247 -0.725362
C 0.234002 0.670254 -0.229604
C 0.813909 -1.625078 -0.925233
C 4.331016 1.458043 0.685921
C 4.926336 -0.907871 -0.035612
H 1.856598 1.898315 0.440204
H 2.880261 -2.182137 -0.789272
H -0.537240 1.429819 -0.089024
H 0.502587 -2.602630 -1.307509
H 4.095582 2.270824 -0.028238
H 5.418611 1.456663 0.852536
H 3.837342 1.688845 1.649885
H 5.916866 -0.519721 0.245014
H 4.973891 -1.229198 -1.094364
H 4.719638 -1.798239 0.589923
H -4.563036 0.621086 1.522003


