%chk=000178394.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178394

0 1
 O   0.5353000     -0.9798000      -1.123200    
 O   -1.402700      -1.278300      -2.282900    
 N    3.273700      -1.184700     -6.3000001E-02
 N    5.221100     -0.3934000     -0.7360000    
 C   -1.462600     -0.2350000     -4.1000001E-02
 C  -0.3662000     -0.6331000      0.9742000    
 C   0.9097000     -0.5021000      0.1710000    
 C    2.051600      -1.338300      0.7178000    
 C  -0.8268000     -0.8960000      -1.274800    
 C   -1.551200       1.299100     -0.1698000    
 C   -2.853500     -0.8138000      0.2633000    
 C    4.252900     -0.2661000      0.1440000    
 C   -2.000800       2.065600      0.9061000    
 C   -3.905100     -0.6174000     -0.6338000    
 C   -1.182200       1.922400      -1.362400    
 C   -3.069200      -1.537100       1.437900    
 C    4.195200      0.7304000       1.233200    
 C    3.620200      -1.948400      -1.131000    
 C   -2.081300       3.453300      0.7895000    
 C   -5.167600      -1.142300     -0.3574000    
 C   -1.262700       3.310000      -1.479100    
 C   -4.331500      -2.062100       1.714200    
 C    4.832500      -1.440000      -1.534200    
 C    4.875000       2.068500      0.8627000    
 C    4.789200      0.2075000       2.561100    
 C   -1.712300       4.075500     -0.4031000    
 C   -5.380700      -1.864600      0.8166000    
 H  -0.3446000     -3.2299999E-02   1.889200    
 H  -0.4569000      -1.687600       1.265700    
 H    1.215200      0.5458000      6.7400001E-02
 H    1.802800      -2.406700      0.6798000    
 H    2.268000      -1.095000       1.761400    
 H   -2.290000       1.600200       1.844500    
 H   -3.762300     -5.6400001E-02  -1.553400    
 H  -0.8297000       1.370900      -2.227500    
 H   -2.301300      -1.695100       2.186500    
 H    3.149000      0.9913000       1.434100    
 H    3.007600      -2.756500      -1.506200    
 H   -2.430700       4.049400       1.627500    
 H   -5.984900     -0.9877000      -1.055800    
 H  -0.9761000       3.795100      -2.407600    
 H   -4.500400      -2.618400       2.631700    
 H    5.445200      -1.774400      -2.358500    
 H    4.748700       2.803400       1.664700    
 H    5.948600       1.933800      0.6897000    
 H    4.437100       2.484900     -5.1199999E-02
 H    5.856200     -1.6200000E-02   2.449900    
 H    4.677100      0.9520000       3.356200    
 H    4.291400     -0.7119000       2.885600    
 H   -1.774900       5.155900     -0.4939000    
 H   -6.364100      -2.271800       1.032700    


%chk=000178394-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178394

0 1
O 0.404005 -0.962329 -1.237787
O -1.585413 -1.519495 -2.272167
N 3.307446 -0.647655 -0.175092
N 5.404891 0.035700 -0.687210
C -1.602895 -0.209910 -0.097901
C -0.407240 -0.273795 0.904445
C 0.835769 -0.219216 -0.003106
C 2.073887 -0.914854 0.574953
C -1.009099 -0.977320 -1.320481
C -1.851365 1.271970 -0.509887
C -2.902444 -0.855403 0.412900
C 4.482192 -0.029955 0.297073
C -2.569270 2.113346 0.379807
C -3.977954 -1.074352 -0.488153
C -1.350362 1.824856 -1.714967
C -3.084331 -1.184279 1.779279
C 4.692639 0.422513 1.726548
C 3.520620 -0.980298 -1.525319
C -2.774707 3.475358 0.075759
C -5.194110 -1.625081 -0.033771
C -1.560569 3.189301 -2.021838
C -4.305639 -1.731698 2.236417
C 4.812841 -0.551517 -1.817791
C 5.771406 1.528888 1.787832
C 5.082657 -0.780475 2.634418
C -2.270314 4.020543 -1.128454
C -5.364983 -1.957191 1.330910
H -0.421373 0.551754 1.634174
H -0.417575 -1.238223 1.447273
H 1.077929 0.813097 -0.314824
H 1.876581 -2.003381 0.611716
H 2.215948 -0.563714 1.611783
H -2.985882 1.695186 1.303328
H -3.854302 -0.825216 -1.545977
H -0.802467 1.200708 -2.430496
H -2.282437 -1.011904 2.505083
H 3.743063 0.852138 2.112091
H 2.746648 -1.452281 -2.124025
H -3.335384 4.108529 0.772447
H -6.009692 -1.795054 -0.745270
H -1.170848 3.597542 -2.960810
H -4.426407 -1.978566 3.297188
H 5.349961 -0.621854 -2.760732
H 5.945235 1.836085 2.835513
H 6.716586 1.159266 1.356811
H 5.467652 2.414585 1.203090
H 6.040746 -1.210508 2.292385
H 5.201839 -0.452778 3.683699
H 4.323280 -1.584508 2.607517
H -2.434358 5.076742 -1.368395
H -6.311397 -2.382798 1.682413


