%chk=000015524.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015524

0 1
 O   0.7224000       2.120900      -1.315500    
 O  -0.2491000      -2.356800     -0.4342000    
 N   9.7099997E-02 -6.6100001E-02 -0.7924000    
 N   -2.261400     -0.1909000     -0.5103000    
 C    2.794900     -0.5221000     -1.7200001E-02
 C    2.179200      0.8873000      0.1891000    
 C    1.658900      -1.352300      0.6101000    
 C    1.654300      0.8520000       1.646100    
 C    1.319500     -0.6210000       1.918400    
 C   0.9424000       1.063800     -0.7215000    
 C   0.4100000      -1.331800     -0.2596000    
 C    4.112400     -0.7400000      0.7666000    
 C    3.099400     -0.8868000      -1.482700    
 C    3.153200       2.049100     -1.8600000E-02
 C   -1.187100      8.8699996E-02  -1.462800    
 C   -2.206400      0.7501000      0.6172000    
 C   -3.568300     -0.1413000      -1.180500    
 C   -3.293600      0.4406000       1.647500    
 C   -4.700000     -0.4801000     -0.2088000    
 C   -4.677900      0.4364000       1.009000    
 H    1.945400      -2.394200      0.7892000    
 H   0.7797000       1.494300       1.793500    
 H    2.416800       1.189900       2.358200    
 H    1.939200     -0.9966000       2.740900    
 H   0.2748000     -0.7479000       2.220800    
 H    4.936100     -0.1702000      0.3222000    
 H    4.045200     -0.4432000       1.817100    
 H    4.400800      -1.797600      0.7471000    
 H    3.906100     -0.2611000      -1.880700    
 H    3.421800      -1.931700      -1.559100    
 H    2.245800     -0.7676000      -2.155000    
 H    4.011400       1.991700      0.6583000    
 H    3.532200       2.068800      -1.046100    
 H    2.663900       3.012400      0.1674000    
 H   -1.211000     -0.6506000      -2.273000    
 H   -1.293300       1.082800      -1.911400    
 H   -2.317000       1.785000      0.2670000    
 H   -1.256300      0.6885000       1.149300    
 H   -3.593000     -0.8699000      -2.000000    
 H   -3.745200      0.8495000      -1.619600    
 H   -3.261900       1.182200       2.453800    
 H   -3.098500     -0.5379000       2.104800    
 H   -4.603900      -1.523600      0.1172000    
 H   -5.665500     -0.3926000     -0.7199000    
 H   -5.427900      0.1114000       1.738400    
 H   -4.943800       1.456100      0.7048000    


%chk=000015524-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015524

0 1
O 0.618631 2.288710 -0.571801
O -0.271889 -2.271424 -0.963841
N 0.143315 0.017128 -0.759226
N -2.290474 0.328939 -0.497540
C 2.870450 -0.593756 -0.120549
C 2.242587 0.736646 0.456859
C 1.733855 -1.590360 0.279291
C 1.738058 0.295575 1.886498
C 1.419187 -1.228127 1.772793
C 0.965940 1.096377 -0.339554
C 0.473348 -1.344748 -0.539165
C 4.188225 -0.972959 0.602792
C 3.160513 -0.553478 -1.640640
C 3.179410 1.953391 0.498978
C -1.174516 0.323704 -1.431536
C -2.845057 1.659660 -0.155203
C -3.319003 -0.717160 -0.704237
C -3.724896 1.572437 1.109430
C -4.212372 -0.855109 0.546444
C -4.833268 0.507991 0.933422
H 2.010987 -2.649126 0.147606
H 0.860509 0.886976 2.200887
H 2.537780 0.489204 2.623700
H 2.062908 -1.825629 2.441000
H 0.372722 -1.462030 2.032891
H 5.005460 -0.288587 0.313246
H 4.100819 -0.947700 1.702461
H 4.493164 -1.995569 0.311430
H 3.936643 0.200524 -1.866465
H 3.540674 -1.534074 -1.981927
H 2.269935 -0.311118 -2.246091
H 4.048782 1.750390 1.148417
H 3.544983 2.218142 -0.509221
H 2.646088 2.836183 0.888836
H -1.306958 -0.458173 -2.198125
H -1.033171 1.307772 -1.911122
H -3.465810 2.065458 -0.996364
H -2.004450 2.358382 0.001797
H -2.802020 -1.669335 -0.915936
H -3.970213 -0.474841 -1.584213
H -4.166461 2.565863 1.319592
H -3.084661 1.299109 1.970996
H -3.593676 -1.230996 1.384693
H -5.004458 -1.603821 0.351353
H -5.430496 0.412910 1.860216
H -5.529323 0.834247 0.132226


