%chk=000126827.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126827

0 1
 O    2.424500      -1.567200     -0.9395000    
 O    3.258400      -3.608200     -0.3091000    
 O    4.116300       3.371800     -0.9135000    
 O   -5.293500       2.277400      3.2299999E-02
 N  -0.3745000      -1.830000      0.2479000    
 C   0.8528000      -1.259900      0.7704000    
 C    1.606100     -0.5460000     -0.3408000    
 C    1.799300      -2.371000       1.177600    
 C    2.570700      -2.624400     -8.4299996E-02
 C    2.491700      0.5551000      0.1479000    
 C   -1.550100      -1.116500      0.1169000    
 C    2.439000       1.814700     -0.3096000    
 C    3.328900       2.917100      0.1839000    
 C   -2.713700      -1.722000     -0.3994000    
 C   -1.623000      0.2394000      0.4957000    
 C   -3.900800      -1.001400     -0.5317000    
 C   -2.810100      0.9597000      0.3634000    
 C    2.513700       4.082100      0.7298000    
 C   -3.949000      0.3392000     -0.1503000    
 C   -5.186800       1.090100     -0.2876000    
 H   0.6444000     -0.6369000       1.647400    
 H   0.9326000     -0.1747000      -1.122100    
 H    1.283100      -3.277900       1.504300    
 H    2.503700      -2.038000       1.946500    
 H  -0.3561000      -2.776400     -0.1167000    
 H    3.220700      0.3047000      0.9153000    
 H    1.719100       2.069400      -1.084200    
 H    4.014800       2.553900      0.9576000    
 H   -2.694300      -2.766900     -0.7017000    
 H  -0.7656000      0.7751000      0.8922000    
 H   -4.779700      -1.498800     -0.9335000    
 H   -2.824600       2.003900      0.6648000    
 H    1.874300       4.518000     -4.6599999E-02
 H    3.177000       4.883700       1.073000    
 H    1.882900       3.771800       1.569100    
 H    4.692400       4.083600     -0.5863000    
 H   -6.053300      0.5456000     -0.6999000    


%chk=000126827-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126827

0 1
O 2.471023 -1.689332 -0.988026
O 3.280796 -3.775715 -0.352258
O 3.748940 3.642166 -1.120091
O -5.295076 2.446964 -0.272658
N -0.403308 -1.847808 0.387498
C 0.884698 -1.301385 0.815840
C 1.660171 -0.582841 -0.358077
C 1.852034 -2.434445 1.208021
C 2.620078 -2.762462 -0.082382
C 2.568780 0.529262 0.089024
C -1.546774 -1.081140 0.173433
C 2.454246 1.803976 -0.358851
C 3.299970 2.963283 0.114561
C -2.745360 -1.719525 -0.274296
C -1.562264 0.333386 0.401581
C -3.912852 -0.972328 -0.475869
C -2.740354 1.065607 0.202165
C 2.495113 3.929943 1.013771
C -3.934612 0.431219 -0.239183
C -5.172847 1.201256 -0.454388
H 0.720592 -0.588902 1.643241
H 0.964242 -0.240688 -1.140598
H 1.354846 -3.332467 1.608223
H 2.577962 -2.098176 1.969652
H -0.436308 -2.833235 0.121241
H 3.353486 0.266366 0.814516
H 1.699984 2.065850 -1.115965
H 4.177480 2.579953 0.679061
H -2.744073 -2.801228 -0.456454
H -0.655887 0.852857 0.728818
H -4.826088 -1.474536 -0.819913
H -2.766129 2.147417 0.375952
H 1.617677 4.321781 0.469214
H 3.121507 4.788343 1.325207
H 2.143609 3.420490 1.928877
H 4.191117 4.495536 -0.876430
H -6.045123 0.590660 -0.805257


