%chk=000171625.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171625

0 1
 O    2.726500       1.125300      0.4379000    
 O   -3.174200       1.501700      0.7423000    
 O   -3.435200      -1.356300      -1.405500    
 O   -4.953000      -2.514100     -0.1793000    
 N   -2.051200     -0.5247000      0.6483000    
 C  -0.8966000       1.567700      0.1886000    
 C    1.516600       1.674300      0.1432000    
 C   0.3433000       1.005100      0.4917000    
 C  -0.9633000       2.799300     -0.4629000    
 C    1.449800       2.905900     -0.5084000    
 C   -2.120100      0.8699000      0.5515000    
 C   0.2099000       3.468400     -0.8114000    
 C    2.904700     -0.2217000      0.1701000    
 C   -3.184400      -1.359800      0.9758000    
 C    2.469600     -0.7313000      -1.039800    
 C    3.512600      -1.022400       1.120100    
 C    2.648400      -2.088300      -1.309000    
 C    3.691300      -2.379200      0.8506000    
 C    3.259300      -2.912200     -0.3639000    
 C   -3.954000      -1.807700     -0.2400000    
 H   0.4098000      7.5700000E-02   1.050500    
 H   -1.919200       3.252400     -0.7124000    
 H    2.360300       3.431400     -0.7831000    
 H   0.1582000       4.426800      -1.319900    
 H   -1.194000      -1.009200      0.4038000    
 H   -3.861600     -0.8060000       1.632500    
 H   -2.797300      -2.243800       1.489900    
 H    2.012600     -0.1065000      -1.801500    
 H    3.848800     -0.6090000       2.066100    
 H    2.316800      -2.502400      -2.256700    
 H    4.167100      -3.020900       1.586600    
 H    3.399700      -3.968400     -0.5740000    
 H   -3.952900      -1.661500      -2.180800    


%chk=000171625-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171625

0 1
O 2.676599 0.975582 0.434939
O -3.402495 1.931595 0.466358
O -2.420507 -2.771041 -0.086812
O -4.697779 -3.086036 0.275309
N -2.474979 -0.165798 0.180183
C -0.984302 1.799922 0.190729
C 1.455323 1.661017 0.221384
C 0.197253 1.027127 0.325762
C -0.891030 3.198046 -0.024229
C 1.555672 3.052203 0.001272
C -2.367975 1.208985 0.293351
C 0.373797 3.815853 -0.114849
C 2.839350 -0.374228 0.024421
C -3.784150 -0.804024 0.298493
C 2.287856 -0.879497 -1.176654
C 3.679479 -1.169547 0.833537
C 2.579424 -2.208618 -1.556727
C 3.965177 -2.494636 0.437711
C 3.414434 -3.021622 -0.754471
C -3.725145 -2.314577 0.173025
H 0.162390 -0.043277 0.555652
H -1.819793 3.770795 -0.103689
H 2.547488 3.509162 -0.062656
H 0.443873 4.896034 -0.279917
H -1.678489 -0.765621 -0.038336
H -4.486070 -0.422299 -0.470037
H -4.258336 -0.554999 1.267630
H 1.661298 -0.243252 -1.809891
H 4.096433 -0.740203 1.749344
H 2.162239 -2.602399 -2.490270
H 4.617755 -3.114416 1.062239
H 3.639424 -4.049251 -1.058522
H -2.415911 -3.762478 -0.163377


