%chk=000041290.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041290

1 1
 O  -2.5100000E-02  -1.258200      0.2306000    
 O   -2.498300      3.4000000E-03   2.226800    
 O   5.8400001E-02 -0.3134000       2.325500    
 N    3.692500      -1.579500      0.1882000    
 C    4.721300     -0.9221000     -0.7205000    
 C    2.338000     -0.9164000     -1.5699999E-02
 C    4.842500      0.5495000     -0.3537000    
 C    4.122300      -1.419900       1.639500    
 C    3.588700      -3.059500     -0.1504000    
 C    1.244900      -1.857100      0.4516000    
 C    5.833200       1.263900      -1.272100    
 C    5.935800       2.743700     -0.9382000    
 C   -1.906100      5.4099999E-02  0.9128000    
 C  -0.5207000     -0.4961000       1.261300    
 C   -1.860000       1.503900      0.4249000    
 C   -2.698100     -0.8239000     -5.9099998E-02
 C   -3.045200       2.218200      0.2483000    
 C   -2.280400     -0.9498000      -1.384100    
 C  -0.6332000       2.111400      0.1575000    
 C   -3.837300      -1.498600      0.3801000    
 C   -3.003400       3.539800     -0.1961000    
 C   -3.001900      -1.750100      -2.269900    
 C  -0.5915000       3.433000     -0.2869000    
 C   -4.558700      -2.299000     -0.5058000    
 C   -1.776700       4.147000     -0.4636000    
 C   -4.140900      -2.424600      -1.830800    
 H    5.675400      -1.444600     -0.5830000    
 H    4.389200      -1.058700      -1.756400    
 H    2.210500     -0.7011000      -1.083700    
 H    2.303500      2.9700000E-02  0.5344000    
 H    5.203300      0.6820000      0.6709000    
 H    3.884200       1.070900     -0.4386000    
 H    5.174800      -1.706800       1.725700    
 H    3.515000      -2.084800       2.261100    
 H    3.963800     -0.3912000       1.972600    
 H    3.025000      -3.595700      0.6181000    
 H    4.605700      -3.467300     -0.1606000    
 H    3.152300      -3.167900      -1.148300    
 H    1.196600      -2.770500     -0.1468000    
 H    1.354500      -2.160800       1.498600    
 H    5.518800       1.154300      -2.316600    
 H    6.824100      0.8037000      -1.181500    
 H    6.650600       3.233900      -1.606500    
 H    4.967400       3.240900      -1.053800    
 H    6.277500       2.891200      9.1300003E-02
 H   -2.221600      0.7939000       2.721600    
 H   -4.009600       1.763400      0.4583000    
 H   -1.406600     -0.4218000      -1.756300    
 H   0.3137000       1.594900      0.2707000    
 H   -4.194700      -1.424600       1.402600    
 H   -3.926000       4.096400     -0.3324000    
 H   -2.679100      -1.844900      -3.302500    
 H   0.3634000       3.905800     -0.4974000    
 H   -5.446200      -2.824000     -0.1647000    
 H   -1.744200       5.176000     -0.8098000    
 H   -4.703300      -3.046900      -2.520800    


%chk=000041290-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041290

1 1
O -0.098893 -1.501273 -0.401170
O -2.040248 0.346983 2.081335
O 0.453654 -0.694676 1.703054
N 3.686473 -1.602690 -0.029834
C 4.732555 -0.502946 -0.392895
C 2.334223 -1.226579 -0.667280
C 4.466401 0.897249 0.179547
C 3.571331 -1.724186 1.495000
C 4.184118 -2.926799 -0.606454
C 1.191957 -2.232323 -0.387351
C 5.637993 1.846268 -0.195697
C 5.416826 3.273246 0.348376
C -1.687864 0.056075 0.687679
C -0.358062 -0.742468 0.744283
C -1.385816 1.359841 -0.098672
C -2.843831 -0.789487 0.124932
C -1.759484 2.600025 0.472745
C -3.533081 -0.455176 -1.061859
C -0.777285 1.341456 -1.381617
C -3.239554 -1.934392 0.862705
C -1.516623 3.806848 -0.221525
C -4.601962 -1.264502 -1.512314
C -0.536331 2.550026 -2.072732
C -4.303006 -2.741785 0.411673
C -0.900322 3.787707 -1.493290
C -4.986825 -2.410345 -0.782338
H 5.700965 -0.888999 -0.025442
H 4.768805 -0.472570 -1.497234
H 2.517780 -1.117708 -1.749765
H 2.059926 -0.244078 -0.256999
H 4.376140 0.866100 1.281172
H 3.529365 1.328280 -0.219903
H 4.579099 -1.633299 1.927311
H 3.152821 -2.707592 1.753257
H 2.903150 -0.941021 1.878317
H 3.446876 -3.718447 -0.405948
H 5.139398 -3.187962 -0.126058
H 4.330877 -2.817166 -1.692047
H 1.077495 -2.984124 -1.181062
H 1.303592 -2.725052 0.593610
H 5.748027 1.883179 -1.297936
H 6.587518 1.439307 0.205828
H 6.258472 3.931198 0.072129
H 4.492644 3.721114 -0.060311
H 5.337649 3.275645 1.450798
H -1.210015 0.571753 2.583561
H -2.257770 2.605798 1.446466
H -3.256958 0.437821 -1.630522
H -0.524985 0.386911 -1.856899
H -2.739852 -2.165068 1.810457
H -1.819759 4.759004 0.226799
H -5.138614 -0.992625 -2.427565
H -0.084262 2.525259 -3.070724
H -4.608549 -3.618448 0.992931
H -0.719733 4.723692 -2.032605
H -5.818345 -3.031900 -1.131519


