%chk=000030811.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030811

0 1
 O   -2.824700       2.143700      0.8562000    
 O   0.5571000       1.081700      0.6059000    
 N    1.483200      -1.507000      0.6005000    
 N   -1.343600     -6.8499997E-02 -0.1055000    
 C  -0.6354000      -1.286900     -0.4073000    
 C  -0.7019000      -2.281100      0.7546000    
 C   0.8568000      -1.045200     -0.6414000    
 C   0.7401000      -2.706200      0.9830000    
 C    2.907700      -1.761200      0.4445000    
 C   -2.759000     -1.4400000E-02 -0.2540000    
 C  -0.6474000       1.046000      0.3561000    
 C    3.659500     -0.5175000      5.0600000E-02
 C   -3.451900       1.099900      0.2333000    
 C   -1.487100       2.305000      0.4375000    
 C   -3.496200      -1.059200     -0.8307000    
 C    3.826200     -0.2168000      -1.293900    
 C    4.175500      0.3103000       1.037800    
 C   -4.846300       1.165600      0.1660000    
 C   -4.889400     -0.9852000     -0.9162000    
 C   -5.564200      0.1249000     -0.4163000    
 C    4.523000      0.9352000      -1.658600    
 C    4.872200       1.462200      0.6731000    
 C    5.045900       1.774800     -0.6752000    
 H   -1.022800      -1.727000      -1.332100    
 H   -1.103500      -1.814600       1.663200    
 H   -1.336800      -3.140700      0.5158000    
 H    1.149400      -1.745700      -1.441400    
 H    1.140300     -7.3799998E-02  -1.052500    
 H   0.9157000      -2.986800       2.026200    
 H   0.9852000      -3.562800      0.3421000    
 H    3.319800      -2.136000       1.391000    
 H    3.100700      -2.553300     -0.2926000    
 H   -1.469100       2.797300     -0.5429000    
 H   -1.005300       2.982000       1.151600    
 H   -3.033600      -1.959700      -1.220200    
 H   -5.377100       2.026600      0.5637000    
 H    3.435400     -0.8669000      -2.071400    
 H    4.043900      7.7699997E-02   2.090900    
 H   -5.447900      -1.801400      -1.365600    
 H   -6.647200      0.1763000     -0.4756000    
 H    4.660500       1.177300      -2.708400    
 H    5.278800       2.116300       1.438900    
 H    5.588700       2.671600     -0.9592000    


%chk=000030811-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030811

0 1
O -3.572760 1.750267 1.518411
O -0.023809 1.112768 1.892949
N 1.651308 -1.603550 0.454434
N -1.594320 -0.004075 0.544373
C -0.719253 -1.200419 0.368810
C -0.317905 -1.915537 1.694773
C 0.630567 -0.921655 -0.370656
C 0.987424 -2.628247 1.285735
C 2.914366 -1.946495 -0.197190
C -2.866297 0.072080 -0.126091
C -1.164979 1.055946 1.348320
C 3.748241 -0.715882 -0.562516
C -3.866270 0.938211 0.403236
C -2.166883 2.202131 1.513144
C -3.187764 -0.695876 -1.272648
C 4.684950 -0.776238 -1.623694
C 3.624356 0.485638 0.179418
C -5.162599 0.982308 -0.139202
C -4.485500 -0.646528 -1.828757
C -5.480611 0.176993 -1.254919
C 5.498455 0.338269 -1.930999
C 4.432953 1.602115 -0.130285
C 5.375145 1.532732 -1.183578
H -1.309260 -1.917728 -0.221269
H -0.098151 -1.175101 2.477510
H -1.104854 -2.606256 2.042136
H 0.589518 -1.329655 -1.411449
H 0.842627 0.159115 -0.445653
H 1.616344 -2.892652 2.154831
H 0.762316 -3.574417 0.726000
H 3.493784 -2.571264 0.513392
H 2.769199 -2.570867 -1.118466
H -2.019546 2.950317 0.705900
H -1.991549 2.676481 2.488813
H -2.431437 -1.326832 -1.748754
H -5.897397 1.651017 0.319126
H 4.779028 -1.698201 -2.212550
H 2.886545 0.525562 0.989535
H -4.712588 -1.249828 -2.713677
H -6.488212 0.208637 -1.681363
H 6.221300 0.277482 -2.752952
H 4.326500 2.526264 0.449632
H 6.002219 2.399473 -1.422312


