%chk=000134918.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134918

0 1
 O   -6.750700       2.069500      -1.648600    
 O   -8.396300      -1.104900     -0.2703000    
 O   -5.027500      -1.309500       1.778400    
 O   -6.715600      -1.039800      -1.793300    
 N   -5.188300      0.2865000      0.1033000    
 N    1.123300     -0.6449000      0.3661000    
 N    3.952400      0.6244000     -0.2909000    
 N    5.216000      -1.770100     -0.8634000    
 N    7.263100     -0.8385000     -0.3133000    
 N    7.425800       1.442600      0.4084000    
 N    5.471500       2.761200      0.5617000    
 N    9.339300      0.1033000      0.2437000    
 C   -6.621400      0.4339000      0.1465000    
 C   -7.093100       1.826100     -0.2851000    
 C   -6.507200       2.939700      0.5750000    
 C   -3.024100     -0.6023000      0.7862000    
 C   -4.502000     -0.5864000      0.9360000    
 C   -7.209400     -0.6443000     -0.7453000    
 C  -0.2798000     -0.6305000      0.5081000    
 C    1.784000     -0.3024000     -0.8552000    
 C   -2.248600     -0.9616000       1.868800    
 C   -2.474200     -0.2565000     -0.4309000    
 C  -0.8610000     -0.9758000       1.728400    
 C   -1.086500     -0.2707000     -0.5716000    
 C    3.273300     -0.4464000     -0.7072000    
 C    5.285500      0.4807000     -0.1630000    
 C    3.882600      -1.628200     -0.9918000    
 C    5.936600     -0.7213000     -0.4483000    
 C    6.091000       1.520600      0.2604000    
 C    7.941600      0.2455000      0.1072000    
 H   -6.944600      0.2375000       1.176500    
 H   -8.186700       1.869600     -0.2263000    
 H   -4.684800      0.8744000     -0.5506000    
 H   -6.905100       3.909600      0.2569000    
 H   -6.751000       2.794500       1.631700    
 H   -5.419000       3.004000      0.4692000    
 H    1.566100      0.7368000      -1.132700    
 H    1.447600     -0.9397000      -1.682900    
 H    1.667700     -0.9044000       1.181800    
 H   -2.685100      -1.228100       2.826800    
 H   -3.065200     -7.4000000E-03  -1.305800    
 H  -0.2434000      -1.256600       2.577700    
 H  -0.6763000     -1.2000001E-03  -1.540100    
 H   -5.782300       2.115900      -1.715100    
 H    3.346800      -2.506600      -1.329000    
 H   -8.785400      -1.786700     -0.8585000    
 H    6.075500       3.516400      0.8617000    
 H    4.608000       2.993400      8.6400002E-02
 H    9.890800      0.8902000      0.5567000    
 H    9.772200     -0.7838000      2.7100001E-02


%chk=000134918-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000134918

0 1
O -7.249199 1.971599 -1.453713
O -8.609353 -1.229438 -1.182766
O -5.123933 -0.070549 2.143491
O -6.517704 -1.360305 -2.184323
N -5.342152 0.066011 -0.168561
N 1.165451 -0.045615 0.576019
N 4.338473 0.844977 -0.373111
N 5.033777 -1.947423 -0.299808
N 7.328354 -1.360438 -0.082462
N 7.998756 1.025797 -0.023931
N 6.382861 2.732477 -0.179542
N 9.555838 -0.702401 0.124758
C -6.800403 -0.063677 -0.098879
C -7.542067 1.317736 -0.166361
C -7.202198 2.225017 1.022590
C -3.086261 0.009620 0.822927
C -4.569461 -0.003554 0.997336
C -7.250462 -0.944050 -1.258702
C -0.225112 -0.008991 0.640190
C 1.943158 0.303723 -0.621152
C -2.282776 -0.319509 1.950480
C -2.429132 0.349200 -0.388818
C -0.886214 -0.335441 1.866336
C -1.026026 0.347738 -0.486992
C 3.389937 -0.120084 -0.467938
C 5.636526 0.423894 -0.247688
C 3.764655 -1.508123 -0.425061
C 6.021308 -0.968158 -0.207098
C 6.709371 1.408375 -0.146743
C 8.238490 -0.344837 0.000721
H -7.069443 -0.543572 0.862633
H -8.625122 1.116050 -0.212363
H -4.925155 -0.190277 -1.069579
H -7.752204 3.176983 0.925232
H -7.470323 1.746913 1.980520
H -6.119587 2.444001 1.059407
H 1.919948 1.393321 -0.829504
H 1.499274 -0.212903 -1.496386
H 1.681633 -0.169854 1.447375
H -2.792656 -0.562604 2.888507
H -3.004278 0.655852 -1.270719
H -0.287669 -0.605537 2.745304
H -0.556395 0.641172 -1.430458
H -6.292802 2.237584 -1.444906
H 2.988136 -2.279042 -0.500190
H -8.884682 -1.765954 -1.974288
H 7.113911 3.436880 -0.111909
H 5.398686 2.983665 -0.275507
H 10.265732 0.022223 0.189417
H 9.794592 -1.690772 0.147714


