%chk=000115176.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115176

0 1
 O   -1.799900      -1.259500      -1.243800    
 O   0.7981000       1.999600     -0.5369000    
 N   -3.335200      0.2489000     -0.2812000    
 N   -3.755400      -1.961200     -0.1640000    
 N  -0.7606000       1.045700      0.8803000    
 N    1.327900      9.2600003E-02  0.7254000    
 C   -4.559500      0.1454000      0.4851000    
 C   -2.699300       1.521000     -0.5438000    
 C   -4.895600      -1.338000      0.4584000    
 C   -2.834800      -1.012800     -0.6388000    
 C   -1.825100       1.974700      0.6131000    
 C   0.5016000       1.125500      0.2742000    
 C    2.667100     -0.1722000      0.3554000    
 C    3.324400      -1.254900      0.9169000    
 C    3.294500      0.6566000     -0.5603000    
 C    4.645200      -1.515900      0.5526000    
 C    4.615500      0.3955000     -0.9246000    
 C    5.290900     -0.6908000     -0.3682000    
 H   -5.344000      0.7541000      2.5900001E-02
 H   -4.373200      0.4962000       1.504900    
 H   -2.086100       1.410700      -1.445700    
 H   -3.478900       2.260700     -0.7539000    
 H   -5.041200      -1.755400       1.458300    
 H   -5.778200      -1.546800     -0.1533000    
 H   -1.396300       2.957200      0.3892000    
 H   -2.411600       2.064600       1.533400    
 H   -3.648600      -2.962800     -0.2899000    
 H  -0.9388000      0.2880000       1.532200    
 H   0.9240000     -0.5511000       1.401300    
 H    2.830800      -1.904000       1.635000    
 H    2.841300       1.514600      -1.033900    
 H    5.171100      -2.361700      0.9858000    
 H    5.119500       1.037400      -1.641500    
 H    6.319300     -0.8940000     -0.6519000    


%chk=000115176-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115176

0 1
O -2.199600 -1.714578 0.163996
O 1.113412 2.166164 0.012188
N -3.738464 0.093047 -0.090284
N -4.471628 -1.809864 0.853499
N -0.586318 0.568031 0.207484
N 1.629066 -0.144239 0.162038
C -5.111255 0.405711 0.364295
C -2.840960 1.082705 -0.716646
C -5.695542 -1.002748 0.713281
C -3.355952 -1.193335 0.289981
C -1.660815 1.561721 0.164814
C 0.744500 0.953152 0.120075
C 3.044866 -0.133014 0.083360
C 3.711592 -1.389853 0.138979
C 3.812823 1.057499 -0.045669
C 5.117299 -1.457814 0.066779
C 5.219715 0.969927 -0.117172
C 5.885199 -0.276723 -0.062548
H -5.694792 0.903810 -0.429765
H -5.095988 1.067164 1.254311
H -2.431092 0.664075 -1.655915
H -3.467709 1.953015 -0.982108
H -6.284912 -0.978645 1.645561
H -6.342302 -1.380881 -0.103629
H -1.230536 2.491376 -0.251324
H -2.036641 1.800628 1.182469
H -4.448466 -2.793084 1.111103
H -0.891986 -0.421821 0.227805
H 1.202963 -1.068745 0.261411
H 3.125205 -2.313176 0.238248
H 3.296023 2.017987 -0.086788
H 5.611872 -2.434955 0.111537
H 5.801512 1.893846 -0.216671
H 6.977806 -0.328484 -0.118997


