%chk=000094082.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094082

0 1
 O   -1.889000      -1.455300      0.9767000    
 O    1.929300      -1.399400     -0.9807000    
 N  -0.8841000     -0.3137000     -0.7869000    
 N   0.9113000     -0.2731000      0.7853000    
 N   -2.427000      -1.958600      -1.226100    
 N    2.517200      -1.858200       1.219100    
 N   -3.332400      -2.949000     -0.8616000    
 N    3.451000      -2.820700      0.8518000    
 C  -7.7999998E-03  0.5981000      6.0000003E-04
 C   0.7921000       1.544000     -0.9326000    
 C  -0.8525000       1.500300      0.9376000    
 C   0.2453000       1.948700      -2.150500    
 C  -0.3259000       1.926100       2.157100    
 C    2.058600       1.989700     -0.5544000    
 C   -2.139200       1.885600      0.5610000    
 C   -1.748600      -1.261300     -0.2302000    
 C    1.800200      -1.196300      0.2260000    
 C   0.9651000       2.799200      -2.989700    
 C   -1.085900       2.737200       2.999800    
 C    2.778200       2.840200      -1.393700    
 C   -2.899100       2.696900       1.403700    
 C    2.231500       3.244900      -2.611200    
 C   -2.372600       3.122500       2.623000    
 C   -4.672900      -2.591100      -1.320900    
 C   -2.917700      -4.233200      -1.422500    
 C    4.784800      -2.411400       1.286600    
 C    3.089900      -4.112100       1.432800    
 H  -0.7611000     -0.3574000      -1.793500    
 H   0.8089000     -0.3073000       1.794400    
 H  -0.7482000       1.645100      -2.466300    
 H   0.6817000       1.671400       2.471900    
 H    2.505300       1.707200      0.3946000    
 H   -2.571600       1.586600     -0.3894000    
 H   0.5371000       3.119900      -3.935000    
 H  -0.6737000       3.074800       3.946200    
 H    3.762500       3.190900      -1.097300    
 H   -3.899100       3.000800       1.108500    
 H    2.790800       3.909100      -3.263700    
 H   -2.963300       3.756200       3.278100    
 H   -2.284500      -1.762100      -2.211900    
 H    2.382700      -1.655400       2.204700    
 H   -4.989000      -1.640200     -0.8766000    
 H   -5.402100      -3.345300      -1.005100    
 H   -4.726500      -2.493000      -2.411700    
 H   -1.922700      -4.508600      -1.054300    
 H   -2.884300      -4.217200      -2.518300    
 H   -3.602200      -5.029200      -1.108900    
 H    5.061100      -1.455300      0.8272000    
 H    5.535100      -3.143600      0.9680000    
 H    4.851100      -2.299200       2.375300    
 H    2.099600      -4.426200       1.083100    
 H    3.072300      -4.084800       2.528900    
 H    3.797000      -4.887300       1.117400    


%chk=000094082-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094082

0 1
O -1.835545 -1.356906 0.943294
O 1.872180 -1.287506 -0.950294
N -0.834757 -0.245265 -0.894825
N 0.831587 -0.221190 0.893393
N -2.350770 -1.969240 -1.278418
N 2.419808 -1.879721 1.269107
N -3.129305 -3.092094 -0.925525
N 3.250655 -2.963307 0.911273
C -0.016267 0.614473 0.001704
C 0.852688 1.551506 -0.875818
C -0.917313 1.515826 0.884408
C 0.345739 2.062428 -2.095399
C -0.426633 2.039597 2.105161
C 2.117765 1.993143 -0.422038
C -2.198942 1.911716 0.435315
C -1.683767 -1.213279 -0.303798
C 1.717847 -1.152277 0.297434
C 1.102120 2.977889 -2.860001
C -1.214578 2.923090 2.875386
C 2.872873 2.909982 -1.183418
C -2.985633 2.796871 1.202260
C 2.370981 3.405717 -2.408745
C -2.499388 3.305632 2.428585
C -4.580237 -2.805726 -0.930364
C -2.724705 -4.299522 -1.672126
C 4.684417 -2.599858 0.888621
C 2.924373 -4.181535 1.678108
H -0.290019 -0.569348 -1.704612
H 0.297161 -0.571810 1.699068
H -0.645535 1.752848 -2.442961
H 0.575936 1.764336 2.449216
H 2.511950 1.609144 0.524390
H -2.580505 1.516071 -0.511417
H 0.697855 3.360617 -3.804155
H -0.822847 3.316338 3.820496
H 3.854769 3.236161 -0.821820
H -3.979968 3.087680 0.844521
H 2.958437 4.116469 -3.000752
H -3.111487 3.991480 3.025014
H -2.363727 -1.625045 -2.251240
H 2.429822 -1.528698 2.239548
H -4.776023 -1.953178 -0.260830
H -5.117585 -3.686368 -0.537164
H -4.983403 -2.572010 -1.947039
H -1.645819 -4.469835 -1.527615
H -2.932639 -4.235838 -2.770108
H -3.275441 -5.167448 -1.269218
H 4.822770 -1.744813 0.208019
H 5.261359 -3.454464 0.494176
H 5.090941 -2.334909 1.896195
H 1.853833 -4.410841 1.554682
H 3.147494 -4.093702 2.771530
H 3.514179 -5.023380 1.275197


