%chk=000009417.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009417

0 1
 O    7.666000      0.6517000      0.6548000    
 N    1.538900      -1.263100      5.3599998E-02
 N    4.413100     -0.9539000      7.1999999E-03
 N   -1.703100     -5.9500001E-02 -0.7211000    
 C    2.366900      -1.975500     -0.9273000    
 C    2.299300      -1.018800       1.285400    
 C    3.652500      -1.196200      -1.224700    
 C    3.585700     -0.2406000      0.9879000    
 C   0.3146000      -2.008800      0.3387000    
 C  -0.5327000      -2.221100     -0.9197000    
 C    5.638600     -0.2099000     -0.2770000    
 C  -0.9502000     -0.9340000      -1.630200    
 C    6.479900     -6.0800001E-02  0.9805000    
 C   -2.938000     -0.5628000     -0.2391000    
 C   -1.271000       1.288600     -0.6396000    
 C   -3.440800     -0.2443000       1.038800    
 C   -1.375700       2.049200      0.5427000    
 C   -3.732200      -1.399300      -1.060100    
 C  -0.7333000       1.931600      -1.780500    
 C   -2.697300      0.5229000       2.044300    
 C   -1.814200       1.503700       1.832100    
 C   -4.683400     -0.7664000       1.455300    
 C  -0.9399000       3.390900      0.5562000    
 C   -4.965300      -1.900200     -0.6391000    
 C  -0.3158000       3.263500      -1.755900    
 C   -5.442600      -1.582300      0.6216000    
 C  -0.4201000       3.995300     -0.5847000    
 H    1.856800      -2.081800      -1.889100    
 H    2.618900      -2.983900     -0.5722000    
 H    2.546800      -1.964200       1.787200    
 H    1.692700     -0.4277000       1.982600    
 H    4.258300      -1.785100      -1.924100    
 H    3.403600     -0.2496000      -1.724100    
 H    3.335600      0.7690000      0.6347000    
 H    4.093900     -0.1400000       1.951100    
 H   0.5487000      -2.989800      0.7734000    
 H  -0.2792000      -1.473700       1.088600    
 H  -2.7400000E-02  -2.880800      -1.634000    
 H   -1.418400      -2.793800     -0.6195000    
 H    5.426000      0.7797000     -0.7036000    
 H    6.237200     -0.7403000      -1.029000    
 H   -1.502200      -1.147000      -2.552200    
 H  -1.8800000E-02 -0.4674000      -1.971800    
 H    6.762100      -1.037500       1.387500    
 H    5.987400      0.5240000       1.760200    
 H   -3.427500      -1.662400      -2.069100    
 H  -0.6704000       1.416200      -2.736900    
 H   -2.916300      0.2703000       3.080900    
 H   -1.379700       1.976600       2.711700    
 H   -5.072800     -0.5416000       2.447100    
 H  -0.9995000       3.982100       1.468800    
 H    8.193100      0.7182000       1.469300    
 H   -5.549400      -2.533000      -1.300700    
 H   8.1299998E-02   3.725100      -2.655100    
 H   -6.398700      -1.969800      0.9596000    
 H  -9.5600002E-02   5.030800     -0.5546000    


%chk=000009417-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009417

0 1
O 7.934962 0.399251 0.710053
N 1.638464 -1.418153 -0.090693
N 4.496079 -0.937982 0.099801
N -1.719076 0.039624 -0.671347
C 2.618477 -2.329299 -0.728668
C 2.233164 -0.781109 1.110256
C 3.900411 -1.567340 -1.104517
C 3.514155 -0.020468 0.731603
C 0.329715 -2.062733 0.181350
C -0.557353 -2.156313 -1.079215
C 5.806749 -0.297983 -0.163223
C -0.919049 -0.761011 -1.635556
C 6.684897 -0.280978 1.095392
C -2.977647 -0.491979 -0.220667
C -1.479627 1.457683 -0.629197
C -3.418666 -0.309504 1.131759
C -1.500824 2.179737 0.608686
C -3.761799 -1.288885 -1.095599
C -1.122180 2.142813 -1.819984
C -2.690993 0.499686 2.120656
C -1.866172 1.570525 1.895463
C -4.614462 -0.956814 1.551381
C -1.127935 3.552776 0.601093
C -4.948527 -1.916256 -0.658006
C -0.759473 3.507402 -1.802974
C -5.381342 -1.752806 0.676809
C -0.759201 4.221225 -0.584013
H 2.172957 -2.761332 -1.643735
H 2.888958 -3.175491 -0.045941
H 2.486344 -1.536297 1.897182
H 1.495650 -0.073723 1.532746
H 4.634616 -2.273219 -1.535634
H 3.646428 -0.807431 -1.886783
H 3.243728 0.819413 0.042351
H 3.958956 0.418501 1.643316
H 0.457715 -3.082844 0.623230
H -0.203356 -1.446803 0.929069
H -0.036118 -2.716376 -1.880685
H -1.470270 -2.730929 -0.834353
H 5.705900 0.745728 -0.547374
H 6.338081 -0.878248 -0.939611
H -1.415049 -0.862260 -2.626823
H 0.028793 -0.216428 -1.789257
H 6.871418 -1.323434 1.424783
H 6.179383 0.265263 1.919797
H -3.434358 -1.428771 -2.130596
H -1.123059 1.598754 -2.769754
H -2.919647 0.261634 3.169117
H -1.498466 2.107801 2.781216
H -4.937686 -0.826079 2.591503
H -1.127597 4.096080 1.554185
H 8.559176 0.399241 1.477883
H -5.525397 -2.532902 -1.356460
H -0.476214 4.005448 -2.737058
H -6.295058 -2.241481 1.030740
H -0.472174 5.277576 -0.556895


