%chk=000015601.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015601

0 1
 O   -1.598200     -3.3000000E-02  9.9100001E-02
 O    1.822900     -0.7985000      0.1359000    
 O   -2.326200       1.239800       1.866900    
 O    3.040400     -0.3925000      -1.768800    
 N   -2.807100       1.821500     -0.3269000    
 N    3.711000      0.4227000      0.2972000    
 C  -0.2697000      -2.094600      0.2604000    
 C   -1.258800      -2.885400     -0.6466000    
 C  -0.9758000     -0.9350000       1.003400    
 C   0.8781000      -1.538800     -0.6247000    
 C   0.3682000      -3.024800       1.311300    
 C   -2.459000      -3.513100      7.2300002E-02
 C   -3.385700      -4.212700     -0.9125000    
 C   -2.253500       1.033300      0.6599000    
 C    2.877800     -0.2654000     -0.5595000    
 C   -3.564000       3.023500     -6.2799998E-02
 C    4.914200       1.101000     -0.1266000    
 C   -2.638500       4.231000      1.9200001E-02
 C   -4.634500       3.219900      -1.128400    
 C    4.600800       2.530300     -0.5513000    
 C    5.957500       1.071000      0.9826000    
 H  -0.7072000      -3.682800      -1.163000    
 H   -1.631800      -2.218000      -1.434800    
 H   -1.730000      -1.328700       1.695300    
 H  -0.2467000     -0.3798000       1.607700    
 H    1.395600      -2.370100      -1.121200    
 H   0.4619000     -0.8874000      -1.403800    
 H  -0.3793000      -3.418400       2.007900    
 H   0.8628000      -3.878400      0.8346000    
 H    1.116900      -2.501200       1.916200    
 H   -2.122200      -4.243800      0.8145000    
 H   -3.037200      -2.748000      0.5994000    
 H   -4.234600      -4.657200     -0.3834000    
 H   -3.778100      -3.506900      -1.651500    
 H   -2.860600      -5.012400      -1.444600    
 H   -4.059200       2.904600      0.9085000    
 H    5.315900      0.5655000     -0.9954000    
 H   -2.631700       1.561400      -1.293100    
 H    3.434100      0.4903000       1.272200    
 H   -1.890400       4.098200      0.8083000    
 H   -3.203100       5.142900      0.2396000    
 H   -2.099200       4.382000     -0.9227000    
 H   -5.238200       4.108800     -0.9180000    
 H   -4.190000       3.336700      -2.123100    
 H   -5.306300       2.355400      -1.167600    
 H    3.873800       2.545000      -1.370700    
 H    5.505100       3.044300     -0.8935000    
 H    4.173300       3.105600      0.2775000    
 H    6.887000       1.550800      0.6591000    
 H    5.600400       1.588900       1.879900    
 H    6.190300      3.9400000E-02   1.268600    


%chk=000015601-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015601

0 1
O -1.651964 -0.377939 0.293008
O 1.750894 -1.219480 -0.083387
O -0.456857 1.395178 1.312193
O 1.371837 0.731872 -1.372747
N -2.005800 1.747340 -0.422322
N 2.989049 0.636024 0.332995
C -0.360138 -2.498444 0.250957
C -1.479595 -3.206525 -0.577618
C -0.931776 -1.363853 1.133874
C 0.641891 -1.914947 -0.777648
C 0.370599 -3.495937 1.188355
C -2.576837 -3.930508 0.236938
C -3.608571 -4.621825 -0.681652
C -1.291856 0.982425 0.462942
C 1.987491 0.128928 -0.452934
C -1.725711 3.184563 -0.637655
C 3.356258 2.069617 0.332152
C -0.836602 3.382604 -1.889426
C -3.048516 3.974029 -0.723118
C 2.714875 2.794676 1.540094
C 4.891704 2.223154 0.301488
H -0.997015 -3.945872 -1.252108
H -1.965531 -2.451087 -1.226935
H -1.663522 -1.761725 1.858975
H -0.127153 -0.841122 1.680752
H 1.100529 -2.731864 -1.364349
H 0.148390 -1.198041 -1.457425
H -0.280236 -3.834529 2.014794
H 0.691238 -4.391427 0.623594
H 1.269667 -3.028687 1.626747
H -2.119147 -4.686407 0.904227
H -3.101048 -3.204792 0.888666
H -4.395967 -5.129687 -0.095047
H -4.101691 -3.887495 -1.346310
H -3.121829 -5.380306 -1.323741
H -1.161447 3.509364 0.254862
H 2.928034 2.480459 -0.599648
H -2.599985 1.253057 -1.090866
H 3.347225 0.034041 1.077034
H 0.070521 2.757876 -1.818932
H -0.540767 4.443594 -1.987613
H -1.383993 3.097258 -2.808877
H -2.842022 5.051885 -0.849853
H -3.652424 3.645881 -1.591530
H -3.651183 3.836605 0.191644
H 1.625715 2.618210 1.560197
H 2.905633 3.882275 1.481410
H 3.145564 2.427088 2.491918
H 5.167945 3.292240 0.262671
H 5.352500 1.792601 1.211889
H 5.322824 1.716557 -0.579634


