%chk=000013688.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013688

0 1
 O   -3.794500     -0.8449000      0.3917000    
 N    1.912000     -0.3407000      0.1368000    
 N   -2.511300      -1.002100      0.9014000    
 C    2.296200       1.077800      0.1517000    
 C    2.765400      -1.112700     -0.7774000    
 C    3.753100       1.250400      0.5842000    
 C    4.237500      -1.011600     -0.3753000    
 C    4.693800      0.4412000     -0.3011000    
 C   0.5041000     -0.4856000     -0.2327000    
 C  -0.4034000      0.2034000      0.7870000    
 C   -1.859500      4.2199999E-02  0.4296000    
 C   -2.614300      0.8904000     -0.3613000    
 C   -3.843300      0.2855000     -0.3585000    
 C   -5.135700      0.6067000     -0.9760000    
 H    1.716000       1.652500      0.8779000    
 H    2.145300       1.537400     -0.8339000    
 H    2.642300     -0.7671000      -1.812300    
 H    2.477800      -2.170800     -0.7508000    
 H    3.868100      0.9301000       1.627800    
 H    4.029200       2.310300      0.5431000    
 H    4.856500      -1.556900      -1.096700    
 H    4.385600      -1.491400      0.6005000    
 H    4.708700      0.8722000      -1.309700    
 H    5.716500      0.4952000      8.7800004E-02
 H   0.3165000     -8.6300001E-02  -1.238900    
 H   0.2433000      -1.551900     -0.2641000    
 H  -0.2275000       1.282600      0.8399000    
 H  -0.2235000     -0.1997000       1.792200    
 H   -2.331000       1.802600     -0.8647000    
 H   -5.076200       1.530900      -1.559300    
 H   -5.452000     -0.1976000      -1.647400    
 H   -5.906100      0.7386000     -0.2101000    


%chk=000013688-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013688

0 1
O -3.992948 -0.801669 0.588179
N 1.919868 -0.198935 0.059312
N -2.649661 -0.966815 1.178832
C 2.411919 1.202397 0.081362
C 2.765253 -1.052068 -0.817603
C 3.869570 1.275248 0.580764
C 4.233393 -1.052290 -0.344411
C 4.790322 0.388074 -0.287344
C 0.481960 -0.299438 -0.277671
C -0.431521 0.093947 0.914743
C -1.893125 -0.022260 0.567958
C -2.655378 0.749797 -0.385381
C -3.943109 0.243023 -0.345337
C -5.219725 0.567983 -1.052189
H 1.761755 1.801489 0.744479
H 2.351736 1.660672 -0.943609
H 2.725866 -0.701562 -1.884273
H 2.360005 -2.080848 -0.793523
H 3.903122 0.927229 1.631092
H 4.211003 2.328325 0.563723
H 4.838580 -1.680394 -1.026238
H 4.279810 -1.507681 0.663644
H 4.839674 0.804044 -1.315346
H 5.821958 0.390706 0.112342
H 0.218471 0.321931 -1.173026
H 0.262767 -1.350136 -0.543731
H -0.214421 1.132246 1.228937
H -0.199393 -0.565791 1.767958
H -2.292484 1.567769 -1.002801
H -5.065336 1.403349 -1.753602
H -5.591526 -0.302778 -1.621821
H -6.008805 0.855137 -0.334019


