%chk=000117676.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117676

0 1
 O   -2.415800      -1.733200      -1.077200    
 O    4.031900      0.6710000     -0.4547000    
 O    3.693500      -1.371100      0.2764000    
 N   -2.208100      0.6969000      0.3085000    
 N  -0.3471000     -0.7672000      0.5722000    
 N    3.263500     -0.2378000     -5.3199999E-02
 C   -3.103700     -0.3464000      0.7564000    
 C  -0.8155000      0.4509000      0.2191000    
 C   -3.553900      -1.176000     -0.4322000    
 C   -2.743800       1.988300     -6.0899999E-02
 C  -1.5600000E-02   1.489200     -0.2302000    
 C    1.353100       1.262800     -0.3234000    
 C    1.872900      2.2700001E-02  3.0700000E-02
 C   0.9885000     -0.9500000      0.4685000    
 H   -3.983500      8.7399997E-02   1.246700    
 H   -2.627100     -0.9833000       1.511500    
 H   -4.088600     -0.5631000      -1.164900    
 H   -4.214400      -1.989600     -0.1173000    
 H   -2.545400       2.220000      -1.113400    
 H   -2.349800       2.785300      0.5795000    
 H   -3.833900       2.010700      5.4800000E-02
 H  -0.3788000       2.469100     -0.5152000    
 H    1.987200       2.072600     -0.6749000    
 H    1.313700      -1.943200      0.7631000    
 H   -1.966800      -2.307400     -0.4334000    


%chk=000117676-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117676

0 1
O -2.487876 -2.418569 -0.424148
O 4.108640 0.650162 -0.314059
O 3.622547 -1.558227 0.043070
N -2.235856 0.759656 0.189981
N -0.431692 -0.751460 0.226917
N 3.272810 -0.320174 -0.110102
C -3.144083 -0.299048 0.721271
C -0.877677 0.554354 0.095700
C -3.524866 -1.411316 -0.287630
C -2.812208 2.076936 -0.134266
C 0.050989 1.630204 -0.128818
C 1.416454 1.348959 -0.200515
C 1.850204 0.006701 -0.045243
C 0.894433 -1.010753 0.168716
H -4.055314 0.217264 1.072209
H -2.661756 -0.776086 1.595278
H -3.775747 -0.947674 -1.268008
H -4.431047 -1.924688 0.089548
H -2.393920 2.470006 -1.077742
H -2.636275 2.820178 0.669344
H -3.898929 1.967439 -0.271046
H -0.297130 2.661178 -0.215459
H 2.158489 2.135692 -0.360557
H 1.211075 -2.051872 0.278276
H -1.608768 -1.970260 -0.176215


