%chk=000140473.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000140473

0 1
 O  -0.1761000       3.259600     -0.7735000    
 O    2.024400      1.7999999E-02  -1.407900    
 O   0.5525000       2.567100       1.260100    
 N   0.4793000     -2.6000000E-03  0.3229000    
 N    3.857900      -1.224500      0.2353000    
 C   -1.870200      0.6707000      0.2267000    
 C  -0.4451000      0.9437000     -0.2538000    
 C   -2.392900     -0.6974000     -0.2204000    
 C   -3.829600     -0.9234000      0.2516000    
 C    2.435200      -1.410300      0.5097000    
 C    1.652800     -0.3923000     -0.3103000    
 C   4.5000002E-02   2.312900      0.1748000    
 C   -4.340900      -2.295800     -0.1569000    
 C    2.007700      -2.825600      0.1418000    
 H   -1.915400      0.7378000       1.321900    
 H   -2.533800       1.456400     -0.1565000    
 H  -0.3801000      0.8730000      -1.346000    
 H   -2.350000     -0.7674000      -1.314100    
 H   -1.753600      -1.493300      0.1797000    
 H   -3.882000     -0.8322000       1.342700    
 H   -4.485700     -0.1534000     -0.1706000    
 H   0.2842000     -0.3507000       1.257500    
 H    2.261000      -1.241200       1.578400    
 H   -4.329600      -2.410200      -1.245600    
 H   -5.369800      -2.435300      0.1889000    
 H   -3.725600      -3.089500      0.2787000    
 H    2.566100      -3.570600      0.7187000    
 H    2.165700      -3.029000     -0.9238000    
 H   0.9413000      -2.972900      0.3456000    
 H    4.401100      -1.904400      0.7662000    
 H    4.152600     -0.3060000      0.5652000    
 H   0.1270000       4.146100     -0.4828000    


%chk=000140473-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000140473

0 1
O -0.820915 3.521566 0.165673
O 1.075787 -0.671469 -1.586186
O 0.540208 2.638554 1.828411
N 0.670443 0.209468 0.522591
N 2.833332 -2.511779 -0.699033
C -1.813592 0.663416 0.293130
C -0.348152 1.156785 0.056631
C -2.134506 -0.644018 -0.460839
C -3.596372 -1.097172 -0.242043
C 2.490830 -1.469268 0.273143
C 1.348395 -0.623496 -0.344869
C -0.130943 2.479871 0.782942
C -3.926938 -2.407662 -0.988357
C 2.121535 -2.093647 1.644363
H -1.975334 0.521511 1.381293
H -2.498307 1.467395 -0.039126
H -0.200366 1.296900 -1.030272
H -1.941805 -0.504617 -1.542667
H -1.446828 -1.445315 -0.127681
H -3.781545 -1.231889 0.843646
H -4.284818 -0.294833 -0.578291
H 0.957131 0.281413 1.501826
H 3.328867 -0.746073 0.446016
H -3.777697 -2.290509 -2.077995
H -4.975277 -2.715701 -0.820333
H -3.272290 -3.232220 -0.649274
H 2.947500 -2.746844 1.977033
H 1.217104 -2.717170 1.545352
H 1.963390 -1.336745 2.437522
H 3.788111 -2.868404 -0.643231
H 2.507751 -2.293723 -1.647279
H -0.691303 4.362971 0.682105


