%chk=000028063.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028063

0 1
 S    1.133800       4.324300      7.3600002E-02
 O   -5.032300      -2.171100      0.5105000    
 O  -0.6671000       2.464600     -0.1212000    
 O    4.191800      -1.619800      0.3112000    
 N   -3.283500     -0.1157000     -0.3943000    
 C   -4.734800     -4.1600000E-02 -0.6135000    
 C   -2.996900     -0.8883000      0.8222000    
 C   -2.702700       1.222600     -0.3080000    
 C   -5.320200      -1.449000     -0.6875000    
 C   -3.622700      -2.276000      0.7135000    
 C   -1.189500       1.144100     -0.1848000    
 C   0.6639000       2.725500      1.0600000E-02
 C    1.586100       1.589300      8.9199997E-02
 C    2.134800       1.068900      -1.076200    
 C    1.901300       1.045600       1.328200    
 C    3.334700     -0.5650000      0.2383000    
 C    3.012700     -1.2600000E-02  -1.001400    
 C    2.779100     -3.5799999E-02   1.403100    
 C    4.217600      -2.513600     -0.8005000    
 C    4.593800      -3.896500     -0.3129000    
 H   -5.215100      0.5104000      0.2049000    
 H   -4.952100      0.4830000      -1.550900    
 H   -1.926500      -1.054200      0.9679000    
 H   -3.393700     -0.3741000       1.707100    
 H   -3.116200       1.794300      0.5337000    
 H   -2.944200       1.797900      -1.211300    
 H   -6.408700      -1.394900     -0.7897000    
 H   -4.933100      -2.003400      -1.551100    
 H   -3.177700      -2.858800     -0.1024000    
 H   -3.461900      -2.831800       1.642900    
 H  -0.7700000      0.6216000      -1.052000    
 H  -0.8895000      0.6385000      0.7352000    
 H    1.893100       1.494300      -2.046500    
 H    1.472200       1.448400       2.241700    
 H    3.443900     -0.3765000      -1.929300    
 H    3.025700     -0.4624000       2.371500    
 H    4.958300      -2.162600      -1.527400    
 H    3.236000      -2.591700      -1.284500    
 H    3.869200      -4.255700      0.4254000    
 H    5.570100      -3.878000      0.1828000    
 H    4.633600      -4.607200      -1.143200    


%chk=000028063-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028063

0 1
S 0.892892 3.933798 0.949319
O -5.662575 -1.907388 0.325035
O -0.602734 2.289766 -0.487632
O 4.468604 -1.768346 0.373488
N -3.595181 0.035292 -0.288526
C -5.009530 0.267167 -0.682729
C -3.532326 -0.794339 0.943908
C -2.792336 1.276766 -0.197860
C -5.714654 -1.082636 -0.894269
C -4.260218 -2.129014 0.714247
C -1.330601 0.985423 -0.578051
C 0.585323 2.430484 0.229005
C 1.537641 1.293268 0.252211
C 1.690381 0.428143 -0.867279
C 2.393920 1.096034 1.376404
C 3.484959 -0.785751 0.260850
C 2.658752 -0.595382 -0.877690
C 3.343396 0.066720 1.389506
C 4.688177 -2.676831 -0.775241
C 5.812747 -3.627190 -0.376207
H -5.564475 0.850241 0.093753
H -5.030763 0.844099 -1.626197
H -2.476049 -0.995557 1.203258
H -4.002614 -0.264827 1.810103
H -2.827025 1.744001 0.813802
H -3.192454 2.020307 -0.910156
H -6.786755 -0.943549 -1.110240
H -5.229325 -1.625438 -1.734090
H -3.736966 -2.705417 -0.079180
H -4.302360 -2.724648 1.641072
H -1.277013 0.625795 -1.619669
H -0.863120 0.242479 0.091730
H 1.079670 0.587472 -1.762062
H 2.299631 1.774977 2.230019
H 2.766871 -1.221718 -1.767452
H 3.995852 -0.095863 2.252413
H 4.962301 -2.076537 -1.666502
H 3.749407 -3.227073 -0.989797
H 5.534353 -4.207113 0.520005
H 6.736619 -3.066759 -0.154460
H 6.020879 -4.333855 -1.199938


