%chk=000026677.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026677

0 1
 O   -2.150700     -0.2179000      -2.311500    
 N    2.526400      0.6813000      9.0400003E-02
 N  -0.9706000       2.021700     -0.2207000    
 C    1.156300      0.9288000      0.5381000    
 C    3.302000      2.1199999E-02   1.149900    
 C    2.527700     -0.1163000      -1.144100    
 C    4.751600     -0.2009000      0.7156000    
 C    3.952000     -0.3427000      -1.653400    
 C    4.825900     -0.9912000     -0.5859000    
 C   0.4059000       1.681800     -0.5711000    
 C    1.203600       1.710400       1.850200    
 C   -2.060200       1.238300     -0.4546000    
 C   -1.338500       3.182100      0.3915000    
 C   -3.162100       1.914400      2.0800000E-02
 C   -2.705600       3.144000      0.5561000    
 C   -2.029400     -4.7400001E-02  -1.082400    
 C   -1.859500      -1.298500     -0.2784000    
 C   -1.720400      -1.187400       1.084000    
 C   -1.850600      -2.504200     -0.9374000    
 C   -1.562500      -2.353100       1.833400    
 C   -1.692700      -3.670100     -0.1879000    
 C   -1.548600      -3.594400       1.197400    
 H   0.6543000     -2.2600001E-02  0.7352000    
 H    2.848600     -0.9368000       1.436000    
 H    3.386000      0.6375000       2.049200    
 H    2.028800      0.3905000      -1.972800    
 H    2.029100      -1.082600     -0.9920000    
 H    5.249400      0.7683000      0.5826000    
 H    5.297200     -0.7348000       1.502100    
 H    3.930400     -0.9773000      -2.546800    
 H    4.393400      0.6165000      -1.953000    
 H    4.486300      -2.019100     -0.4098000    
 H    5.863500      -1.049100     -0.9327000    
 H   0.3146000       1.119300      -1.503100    
 H   0.9104000       2.626300     -0.8155000    
 H    1.819900       2.613100       1.769900    
 H    1.558900       1.107700       2.692200    
 H   0.2048000       2.022200       2.167500    
 H  -0.6156000       3.942100      0.6569000    
 H   -4.184600       1.563900     -1.2200000E-02
 H   -3.306800       3.918600       1.011000    
 H   -1.730400     -0.2435000       1.617400    
 H   -1.960100      -2.592000      -2.013500    
 H   -1.450800      -2.294700       2.912200    
 H   -1.681700      -4.636800     -0.6827000    
 H   -1.425700      -4.502100       1.780900    


%chk=000026677-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026677

0 1
O -0.411145 -0.855060 -1.247138
N 2.963732 0.827024 0.013341
N -0.691779 1.829040 -0.052799
C 1.642040 1.091808 0.659271
C 4.179909 0.941096 0.856247
C 2.964756 -0.467234 -0.727350
C 5.447810 0.893710 -0.025812
C 4.184705 -0.569481 -1.663401
C 5.497867 -0.403106 -0.864901
C 0.734639 1.729050 -0.441686
C 1.707700 2.011556 1.892562
C -1.629663 0.773511 0.044232
C -1.292416 2.998437 0.380065
C -2.840678 1.339244 0.531851
C -2.629087 2.730396 0.737226
C -1.378963 -0.585623 -0.449312
C -2.306254 -1.695886 -0.026676
C -2.923015 -1.746569 1.252422
C -2.495352 -2.777519 -0.928373
C -3.728425 -2.850075 1.611398
C -3.310630 -3.870984 -0.574543
C -3.932315 -3.909612 0.697391
H 1.170365 0.129023 0.974378
H 4.236690 0.113895 1.613661
H 4.159974 1.895038 1.408248
H 2.025545 -0.565048 -1.298122
H 2.986498 -1.324595 -0.003536
H 5.435909 1.771290 -0.701269
H 6.344466 0.976615 0.619370
H 4.166104 -1.545646 -2.185533
H 4.111569 0.224192 -2.432078
H 5.626376 -1.273248 -0.187471
H 6.371305 -0.392056 -1.544563
H 0.802188 1.132634 -1.361450
H 1.102805 2.749787 -0.646659
H 2.170759 2.985559 1.645438
H 2.276931 1.553281 2.719302
H 0.684255 2.204434 2.260345
H -0.735017 3.933734 0.400611
H -3.774990 0.796344 0.659419
H -3.354105 3.462277 1.088313
H -2.744152 -0.943744 1.974922
H -1.986670 -2.739656 -1.897310
H -4.188934 -2.887146 2.604978
H -3.460229 -4.693581 -1.282578
H -4.561176 -4.762606 0.976569


