%chk=000029337.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029337

0 1
 O   0.6091000       3.265100       2.015300    
 O   0.6871000       1.132300      -2.863300    
 O    3.028300      -1.833100       1.940600    
 O   -4.673500      -2.516200     -0.5606000    
 O    4.651800      -2.442700      -1.196000    
 O   -5.728300      0.5492000      0.9677000    
 N  -0.4349000       2.092300      0.3346000    
 N    1.787400       2.149900      -1.124900    
 N    3.865100      -1.676700      0.8241000    
 N   -4.789800      -1.148200     -0.2669000    
 C  -0.3329000       1.044000     -0.6686000    
 C    1.996700       2.292300      0.3068000    
 C   -1.678600      0.7949000      -1.334500    
 C    2.641300       1.064600      0.9310000    
 C   0.6710000       2.635600      0.9605000    
 C   0.7217000       1.465500      -1.680200    
 C   -2.569200     -0.1053000     -0.4749000    
 C    3.958400      0.7125000      0.2368000    
 C    4.658200     -0.4801000      0.8801000    
 C   -3.947900     -0.3239000      -1.089100    
 C    3.919800      -2.574600     -0.2141000    
 C   -5.622000     -0.6495000      0.7056000    
 C    3.017500      -3.777200     -9.0800002E-02
 C   -6.436100      -1.670800       1.460500    
 H   2.7500000E-02  0.1332000     -0.1783000    
 H    2.653700       3.162200      0.4268000    
 H   -2.188800       1.745100      -1.538100    
 H    1.954200      0.2152000      0.8793000    
 H   -1.547300      0.2980000      -2.303400    
 H    2.821800       1.250100       1.997300    
 H   -1.337800       2.258700      0.7689000    
 H    2.538800       2.435500      -1.745600    
 H   -2.077900      -1.075800     -0.3301000    
 H    4.633300       1.576300      0.2698000    
 H   -2.686500      0.3324000      0.5243000    
 H    3.778000      0.4848000     -0.8206000    
 H    4.909400     -0.2659000       1.925400    
 H    5.599000     -0.6560000      0.3457000    
 H   -3.862100     -0.7853000      -2.079800    
 H   -4.434900      0.6496000      -1.220100    
 H    3.637200      -2.276700       2.555500    
 H   -3.918600      -2.753900      4.3000001E-03
 H    3.129400      -4.415600     -0.9716000    
 H    3.286100      -4.352200      0.7996000    
 H    1.975500      -3.453400     -2.0000000E-02
 H   -7.081700      -2.216800      0.7671000    
 H   -7.061000      -1.169200       2.204700    
 H   -5.770300      -2.370700       1.972800    


%chk=000029337-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029337

0 1
O 0.749673 2.750399 2.187584
O 0.357656 0.376322 -2.724779
O 3.907811 -2.104913 1.629189
O -5.435759 -2.149745 0.126885
O 5.944791 -1.660597 -1.304081
O -6.879477 1.150416 -0.051914
N -0.441930 1.431342 0.688769
N 1.629573 1.470985 -1.121436
N 4.990429 -1.583251 0.792420
N -5.478537 -0.687435 0.053491
C -0.545748 0.487737 -0.443815
C 1.961660 1.853406 0.267928
C -1.967238 0.501961 -1.049904
C 2.922812 0.844734 0.965974
C 0.704657 2.056748 1.128044
C 0.511798 0.777754 -1.532867
C -3.039767 -0.097869 -0.113520
C 4.325763 0.825244 0.323428
C 5.311355 -0.155033 1.001887
C -4.420384 -0.118892 -0.800576
C 5.219283 -2.228060 -0.432541
C -6.731240 -0.074505 0.235344
C 4.602509 -3.606716 -0.600766
C -7.823371 -0.946275 0.833858
H -0.339841 -0.548815 -0.088621
H 2.462136 2.840104 0.240546
H -2.230683 1.542693 -1.321387
H 2.476938 -0.166602 0.945451
H -1.918243 -0.072356 -1.992686
H 3.001304 1.146891 2.028165
H -1.271934 1.563769 1.274480
H 2.332046 1.636127 -1.848622
H -2.745944 -1.131115 0.163437
H 4.769700 1.840710 0.382568
H -3.131215 0.482237 0.827403
H 4.270768 0.559538 -0.749670
H 5.357515 0.020761 2.092112
H 6.320721 -0.010046 0.579844
H -4.369249 -0.704944 -1.739590
H -4.753641 0.904573 -1.046876
H 4.366216 -2.579008 2.376889
H -5.055644 -2.351627 1.025403
H 4.889086 -3.990747 -1.590664
H 4.957208 -4.306975 0.176875
H 3.502877 -3.558461 -0.522369
H -7.978382 -1.856388 0.230421
H -8.749441 -0.354536 0.873981
H -7.561418 -1.270040 1.857909


