%chk=000005329.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005329

0 1
 S   0.2645000      -2.203100     -8.4500000E-02
 O   -2.641600      0.9657000     -0.9788000    
 O   0.9463000      -3.203000      0.7288000    
 O  -5.6299999E-02  -2.524500      -1.469800    
 N   -1.169300      -1.727300      0.7438000    
 N   -1.927800     -0.2265000     -0.9777000    
 N    3.548500       2.753200      8.6000003E-03
 C    1.228600     -0.7477000     -5.7200000E-02
 C    2.104700     -0.5114000       1.002200    
 C    1.122800      0.1788000      -1.094600    
 C   -1.845100     -0.5383000      0.2987000    
 C    2.769000       1.577800     -1.2900000E-02
 C    2.874800      0.6514000       1.024300    
 C    1.893000       1.341500      -1.072400    
 C   -2.453900      0.3608000       1.158900    
 C   -2.949300       1.305100      0.2991000    
 C   -3.708900       2.547600      0.4835000    
 H   -1.208400      -1.918500       1.753400    
 H    2.198300      -1.214900       1.824600    
 H   0.4759000      7.7999998E-03  -1.949200    
 H    3.552700      0.8250000       1.856200    
 H    1.807000       2.052500      -1.890200    
 H   -2.532400      0.3461000       2.235800    
 H   -3.909600       2.734600       1.543000    
 H   -3.150600       3.402100      8.8699996E-02
 H   -4.669000       2.492900     -3.8600001E-02
 H    4.182500       2.926000      0.7773000    
 H    3.470700       3.425900     -0.7424000    


%chk=000005329-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005329

0 1
S 0.168564 -1.521365 0.227468
O -2.948841 1.843689 -0.331847
O 0.609134 -2.790035 1.149362
O -0.583735 -1.717899 -1.198232
N -1.008795 -0.569803 1.447749
N -1.670829 1.208511 -0.004819
N 4.956952 2.087969 -0.485855
C 1.619942 -0.386295 0.020892
C 2.768993 -0.646407 0.789936
C 1.533195 0.672886 -0.902348
C -2.008000 0.236279 0.894306
C 3.849557 1.267729 -0.314862
C 3.888808 0.182846 0.614942
C 2.656556 1.497870 -1.068736
C -3.426417 0.221953 1.182182
C -3.970473 1.235465 0.416931
C -5.350293 1.772919 0.217519
H -1.332925 -1.298548 2.103675
H 2.783956 -1.487803 1.489841
H 0.608738 0.852909 -1.458791
H 4.798981 -0.004481 1.195943
H 2.613094 2.331915 -1.778118
H -3.951224 -0.450695 1.855836
H -6.070131 1.213850 0.836042
H -5.404590 2.840834 0.495605
H -5.657288 1.687584 -0.840205
H 5.808707 1.934423 0.046444
H 4.935464 2.863300 -1.142259


