%chk=000016326.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016326

0 1
 S   -3.236300       1.282800     -0.2167000    
 O   -3.937000       1.397600       1.254500    
 O   -2.535700       2.534400     -0.4554000    
 O   -4.230800      0.7941000      -1.156900    
 N   -3.762100      -1.699100      0.1370000    
 N    5.758000      0.8183000     -4.7600001E-02
 C   0.2958000     -0.6102000      5.2600000E-02
 C   -2.034700      1.9900000E-02 -5.0799999E-02
 C    1.695000     -0.2441000      2.6100000E-02
 C  -0.6853000      0.3730000     -7.7600002E-02
 C   -2.402800      -1.316500      0.1059000    
 C  -7.2800003E-02  -1.946500      0.2095000    
 C   -1.421800      -2.299600      0.2363000    
 C    2.642300      -1.144300     -0.4615000    
 C    2.096800       1.008900      0.4891000    
 C    3.991600     -0.7916000     -0.4859000    
 C    3.446100       1.361600      0.4646000    
 C    4.393700      0.4614000     -2.3000000E-02
 H  -0.4101000       1.411400     -0.2327000    
 H   0.6545000      -2.742300      0.3456000    
 H   -1.695200      -3.343700      0.3661000    
 H    2.373400      -2.118400     -0.8606000    
 H    1.400800       1.730200      0.9085000    
 H    4.720000      -1.499000     -0.8742000    
 H    3.748200       2.338100      0.8348000    
 H   -4.004300      -2.674600      0.2526000    
 H   -4.499100      -1.012800      5.9700001E-02
 H   -3.334200       1.655300       1.991200    
 H    6.445400      0.1664000     -0.4015000    
 H    6.049700       1.726900      0.2873000    


%chk=000016326-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016326

0 1
S -3.288838 1.309901 -0.129944
O -3.433329 1.627938 1.704921
O -2.661623 2.633623 -0.812874
O -4.742952 0.766215 -0.637802
N -3.832672 -1.808538 0.045693
N 5.885128 0.822825 -0.009043
C 0.315638 -0.652319 0.038296
C -2.060799 -0.073437 -0.043719
C 1.751203 -0.272847 0.028127
C -0.709063 0.318334 -0.054901
C -2.506950 -1.426827 0.052178
C -0.104618 -2.014604 0.149640
C -1.451413 -2.391463 0.147888
C 2.751615 -1.162779 -0.454505
C 2.188584 0.997657 0.498149
C 4.112386 -0.811162 -0.469984
C 3.544211 1.365148 0.488710
C 4.537147 0.464681 0.002789
H -0.470243 1.379523 -0.181462
H 0.653438 -2.797652 0.260231
H -1.723409 -3.449789 0.236720
H 2.460931 -2.139115 -0.859491
H 1.458632 1.704761 0.909049
H 4.853533 -1.519057 -0.861298
H 3.843962 2.349506 0.868708
H -4.074022 -2.793137 0.117175
H -4.564263 -1.111117 -0.135693
H -4.059168 2.402262 1.818754
H 6.592532 0.181129 -0.354355
H 6.183523 1.737941 0.315040


