%chk=000056543.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056543

0 1
 O   -2.862000     -0.4846000      -1.312300    
 O  -0.5571000      -1.770100     -0.6804000    
 O   -1.680000      -2.147800       1.295600    
 N    3.324600      0.7598000      0.7074000    
 C   -3.323900      0.1230000      0.9493000    
 C   -4.621200     -0.5949000      0.8394000    
 C   -4.526700      0.8583000      0.4773000    
 C   -2.240200     -0.1978000     -5.5599999E-02
 C   -1.300200      0.9986000     -0.1817000    
 C   -1.485300      -1.479900      0.2871000    
 C   -1.243600       1.672700      -1.381700    
 C  -0.5415000       1.362700      0.9090000    
 C   0.2203000      -2.940700     -0.4655000    
 C    1.592000      -2.770100      -1.100100    
 C    2.325300      -1.584300     -0.5526000    
 C    2.638700      -1.598300      0.9221000    
 C    3.656100     -0.5240000       1.334700    
 C  -0.3851000       2.765900      -1.496900    
 C   0.3170000       2.456100      0.7939000    
 C    3.403500      0.6581000     -0.7592000    
 C    2.698500     -0.5462000      -1.319400    
 C   0.3952000       3.157700     -0.4091000    
 C    4.195700       1.825600       1.198500    
 H   -2.960800      0.3200000       1.950900    
 H   -4.815200      -1.302500      4.5600001E-02
 H   -5.133300     -0.8465000       1.762100    
 H   -4.627600       1.129400     -0.5658000    
 H   -4.976100       1.574600       1.155700    
 H   -3.250900      -1.374600      -1.282400    
 H   -1.837400       1.399200      -2.247200    
 H  -0.5862000      0.8221000       1.849300    
 H   0.3272000      -3.178600      0.5994000    
 H  -0.2959000      -3.781100     -0.9430000    
 H    1.464300      -2.660500      -2.184700    
 H    2.188500      -3.676400     -0.9434000    
 H    1.709400      -1.439900       1.483500    
 H    3.034200      -2.579300       1.210900    
 H    3.633400     -0.4338000       2.427700    
 H    4.670000     -0.8431000       1.057500    
 H  -0.3236000       3.312600      -2.433500    
 H   0.9249000       2.760800       1.640800    
 H    4.447500      0.6239000      -1.097300    
 H    2.948000       1.552900      -1.198600    
 H    2.492900     -0.5483000      -2.386000    
 H    1.065000       4.007800     -0.4989000    
 H    5.252000       1.631600      0.9805000    
 H    3.920400       2.785400      0.7473000    
 H    4.083300       1.944200       2.281800    


%chk=000056543-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056543

0 1
O -2.774326 -0.510630 -1.403195
O -0.830307 -2.081674 -0.722413
O -0.677754 -1.303928 1.475825
N 3.382106 0.475604 0.988851
C -3.173803 0.125728 0.906352
C -4.403645 -0.783517 0.980235
C -4.544281 0.678938 0.517564
C -2.099159 -0.090381 -0.172778
C -1.311314 1.226157 -0.400217
C -1.131423 -1.195904 0.317932
C -1.626323 2.025083 -1.525971
C -0.343087 1.683235 0.528586
C 0.129384 -3.193290 -0.444797
C 1.501474 -2.885141 -1.076638
C 2.246504 -1.734931 -0.419408
C 2.689175 -1.902786 1.026978
C 3.790190 -0.887484 1.395072
C -0.983303 3.267899 -1.721401
C 0.299281 2.925748 0.328913
C 3.225118 0.602165 -0.476447
C 2.517324 -0.584714 -1.091448
C -0.019591 3.725393 -0.793169
C 4.238201 1.534738 1.547474
H -2.745799 0.463934 1.854890
H -4.508148 -1.546594 0.204385
H -4.773386 -1.064405 1.970535
H -4.736229 0.834729 -0.547053
H -5.013282 1.404105 1.188890
H -2.171512 -1.146710 -1.870644
H -2.374440 1.659107 -2.235309
H -0.070704 1.068235 1.392945
H 0.192434 -3.325994 0.649038
H -0.334116 -4.079154 -0.909509
H 1.356971 -2.687503 -2.155241
H 2.095281 -3.821563 -0.994636
H 1.821207 -1.760752 1.700079
H 3.066824 -2.933494 1.193191
H 3.955694 -0.888497 2.488551
H 4.755681 -1.191815 0.910842
H -1.237437 3.879548 -2.594933
H 1.049303 3.263723 1.053381
H 4.218217 0.734474 -0.990032
H 2.641475 1.521037 -0.686809
H 2.209835 -0.471185 -2.140058
H 0.476443 4.691395 -0.942717
H 5.299974 1.485854 1.191219
H 3.835626 2.525101 1.264759
H 4.243746 1.469815 2.650337


