%chk=000096466.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096466

0 1
 O   7.0100002E-02  0.6580000      -2.605900    
 N   -3.105100     -0.3093000      0.3703000    
 N   0.8097000      -1.492600      -2.437300    
 C   -4.328200      0.3536000     -0.1031000    
 C   -5.427900     -0.6188000      0.3292000    
 C   -3.296500      -1.726200      5.1199999E-02
 C   -4.745100      -1.978000      0.4348000    
 C   -1.890100      0.2161000     -0.2406000    
 C  -0.6697000     -0.5931000      0.2357000    
 C   0.7219000     -0.1326000     -0.3598000    
 C   -4.533600       1.740600      0.4927000    
 C    1.117300       1.313800      5.2999999E-02
 C    1.868200      -1.068400      0.1282000    
 C   0.5203000     -0.2500000      -1.906800    
 C    1.846900       2.049200     -0.8346000    
 C    3.118900     -0.8436000     -0.3641000    
 C   0.7103000       1.757400       1.277100    
 C    1.545700      -2.051100       1.015400    
 C    2.202000       3.346400     -0.4644000    
 C    4.145100      -1.681600      7.2400004E-02
 C    1.065200       3.054500       1.647400    
 C    2.571800      -2.889100       1.452100    
 C    1.811000       3.848900      0.7766000    
 C    3.871500      -2.704300      0.9805000    
 H   -4.333700      0.4239000      -1.199700    
 H   -6.243600     -0.6408000     -0.4015000    
 H   -5.859700     -0.3493000       1.300600    
 H   -2.649800      -2.392100      0.6311000    
 H   -3.156600      -1.930700      -1.018300    
 H   -4.816500      -2.347900       1.464600    
 H   -5.212700      -2.719400     -0.2210000    
 H   -1.764100       1.266300      3.8300000E-02
 H   -1.982200      0.1764000      -1.330700    
 H  -0.6736000     -0.5994000       1.332100    
 H  -0.8142000      -1.630400     -9.3099996E-02
 H   -5.512400       2.139500      0.2053000    
 H   -4.489600       1.718400       1.587300    
 H   -3.772500       2.443300      0.1391000    
 H    2.182600       1.692700      -1.801000    
 H    3.362000     -8.5199997E-02  -1.095700    
 H   0.1555000       1.164200       1.991500    
 H   0.5679000      -2.254800       1.426900    
 H    1.102600      -2.288500      -1.881600    
 H   0.6933000      -1.664400      -3.430700    
 H    2.786000       3.964200      -1.140400    
 H    5.155600      -1.543400     -0.3010000    
 H   0.7666000       3.444100       2.616300    
 H    2.360300      -3.686000       2.159300    
 H    2.089300       4.858000       1.065900    
 H    4.670100      -3.358000       1.319000    


%chk=000096466-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096466

0 1
O -0.039171 -0.175738 -2.866165
N -3.118691 -0.393449 0.219575
N 1.617256 -1.719991 -2.458539
C -4.231953 0.609185 0.233610
C -5.481350 -0.256407 0.563663
C -3.687489 -1.585218 -0.466712
C -5.116541 -1.709706 0.118085
C -1.854471 0.100499 -0.382921
C -0.675529 -0.806760 0.030502
C 0.746935 -0.385648 -0.510063
C -4.001186 1.749689 1.237416
C 0.952130 1.133500 -0.255675
C 1.866933 -1.173942 0.221686
C 0.750886 -0.729604 -2.040534
C 1.050629 2.106897 -1.279996
C 3.211713 -0.713481 0.141742
C 1.030269 1.568095 1.095723
C 1.619519 -2.377902 0.932511
C 1.233133 3.473626 -0.960035
C 4.266574 -1.424268 0.751718
C 1.202487 2.930223 1.416063
C 2.674786 -3.090965 1.549049
C 1.308087 3.894298 0.385499
C 4.003222 -2.620307 1.461047
H -4.360136 1.049673 -0.791074
H -6.378195 0.131626 0.048893
H -5.678859 -0.222397 1.650328
H -3.073243 -2.484302 -0.280384
H -3.730936 -1.429526 -1.575833
H -5.121014 -2.390204 0.986921
H -5.821861 -2.114564 -0.628974
H -1.664429 1.118899 -0.002948
H -1.919651 0.166816 -1.492611
H -0.640705 -0.815097 1.136338
H -0.884040 -1.844192 -0.295255
H -4.884889 2.413818 1.271373
H -3.834532 1.332135 2.247065
H -3.127935 2.372732 0.971234
H 0.958114 1.806730 -2.326809
H 3.425143 0.219714 -0.391491
H 0.966891 0.829362 1.903721
H 0.600997 -2.766788 1.018643
H 2.278688 -2.164866 -1.823860
H 1.594235 -1.984583 -3.443481
H 1.308588 4.209133 -1.769266
H 5.291635 -1.043862 0.677896
H 1.257885 3.238655 2.466319
H 2.455154 -4.013453 2.098555
H 1.445525 4.953810 0.629278
H 4.819692 -3.171398 1.940771


