%chk=000040186.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040186

0 1
 O    2.351800      -3.766900     -0.4400000    
 O    6.186900       1.338200     -4.8400000E-02
 O   -5.288900       2.235900      -1.747000    
 N    1.154900      -1.840500      -1.074800    
 N    4.052300       2.013800     -0.7811000    
 N   -5.322700      0.4121000     -0.2560000    
 C  -0.1244000      -1.152300       1.413300    
 C   0.9914000     -0.3203000      0.8136000    
 C   -1.489000     -0.7410000      0.9739000    
 C    1.572100     -0.6950000     -0.3854000    
 C    1.403400      0.8119000       1.495600    
 C   -2.058000      -1.313600     -0.1636000    
 C   -2.196800      0.2153000       1.702000    
 C    2.596700      8.6300001E-02 -0.9194000    
 C    2.428100       1.593100      0.9616000    
 C    3.024800       1.230400     -0.2458000    
 C   -3.335000     -0.9297000     -0.5730000    
 C   -3.473800      0.5991000       1.292500    
 C   -4.043000      2.6699999E-02  0.1550000    
 C    1.754100      -2.804000     -0.7568000    
 C    5.120600       1.675400     -0.4142000    
 C   -5.305400       1.325000      -1.002300    
 H  -6.2300000E-02  -1.088900       2.509700    
 H   2.5000000E-02  -2.222500       1.226200    
 H   0.9465000       1.104900       2.436400    
 H   -1.529600      -2.069800     -0.7359000    
 H   -1.766700      0.6688000       2.591100    
 H    3.059500     -0.1932000      -1.863700    
 H    2.751800       2.483700       1.494300    
 H   -3.770400      -1.386300      -1.458200    
 H   -4.016900       1.343600       1.869200    


%chk=000040186-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040186

0 1
O 1.314869 -4.534459 -1.345622
O 6.367618 2.898223 -1.184342
O -7.114660 1.777481 -1.525818
N 1.681435 -2.299238 -0.467491
N 4.435605 1.670546 -0.372668
N -5.058220 0.874845 -0.598829
C -0.154197 -1.239921 1.577703
C 1.072762 -0.490779 1.060394
C -1.466086 -0.695997 1.008970
C 1.931376 -1.041407 0.059600
C 1.386443 0.800486 1.547804
C -1.912272 -1.073716 -0.283685
C -2.258418 0.216971 1.749936
C 3.054157 -0.318965 -0.418434
C 2.495021 1.533195 1.087745
C 3.339467 0.968860 0.093761
C -3.104401 -0.557024 -0.825851
C -3.453908 0.745827 1.224198
C -3.884051 0.362875 -0.073913
C 1.509343 -3.413338 -0.901241
C 5.395589 2.281455 -0.776481
C -6.081487 1.322150 -1.057032
H -0.179082 -1.164729 2.680493
H -0.059838 -2.311973 1.332011
H 0.738273 1.244977 2.311330
H -1.323591 -1.783799 -0.876057
H -1.946190 0.510684 2.759358
H 3.699228 -0.760315 -1.183288
H 2.716296 2.529065 1.482466
H -3.442564 -0.857670 -1.822545
H -4.061516 1.445891 1.806327


