%chk=000012825.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012825

0 1
 O   -1.706800      0.3514000      0.3650000    
 O   -3.080600      0.3687000      -1.482100    
 N   -3.614500       1.547600      0.4186000    
 C   7.7500001E-02  -1.198000      0.9157000    
 C   -1.165600     -0.9295000      4.6399999E-02
 C    1.291400     -0.4829000      0.4262000    
 C   -2.250000      -1.977000      0.2647000    
 C    2.138500      -1.097400     -0.4961000    
 C    1.579600      0.8007000      0.8903000    
 C    3.273700     -0.4287000     -0.9542000    
 C    2.714800       1.469400      0.4321000    
 C    3.561800      0.8546000     -0.4901000    
 C   -2.819700      0.7211000     -0.3367000    
 H   0.2936000      -2.274100      0.9379000    
 H  -0.1229000     -0.9086000       1.955800    
 H  -0.8736000     -0.9385000      -1.012200    
 H   -2.665300      -1.902700       1.276200    
 H   -3.087100      -1.874000     -0.4314000    
 H   -1.847500      -2.986800      0.1317000    
 H    1.924000      -2.096000     -0.8676000    
 H   0.9275000       1.291400       1.608000    
 H    3.932800     -0.9069000      -1.672800    
 H    2.939000       2.468900      0.7931000    
 H    4.445400       1.375500     -0.8470000    
 H   -3.355500       1.810500       1.363500    
 H   -4.485500       1.919700      5.5399999E-02


%chk=000012825-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012825

0 1
O -1.745317 0.104559 0.538847
O -2.899134 0.294202 -1.515595
N -2.908078 2.005112 0.090629
C 0.059221 -1.472407 0.908408
C -1.266464 -1.259248 0.144125
C 1.189688 -0.567685 0.440485
C -2.345824 -2.291953 0.496908
C 2.063029 -0.983074 -0.597838
C 1.381849 0.716327 1.011627
C 3.099368 -0.138752 -1.056878
C 2.417886 1.563501 0.558047
C 3.280746 1.138959 -0.479063
C -2.555020 0.766511 -0.402679
H 0.342335 -2.533969 0.773319
H -0.142216 -1.323410 1.986112
H -1.094449 -1.243902 -0.948224
H -2.554905 -2.286529 1.581777
H -3.278464 -2.072112 -0.049227
H -2.011854 -3.306384 0.210734
H 1.933811 -1.976216 -1.047157
H 0.710360 1.049906 1.811014
H 3.765511 -0.477492 -1.858621
H 2.553531 2.551910 1.012251
H 4.085723 1.794163 -0.830800
H -2.566597 2.318149 0.995664
H -3.489737 2.608233 -0.483464


