%chk=000044227.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044227

0 1
 O   -6.078000     -0.2045000     -0.3444000    
 O   -5.175100      -2.140200      0.1808000    
 O    5.728600      -2.144700      0.7855000    
 N  -3.6899999E-02   1.537600      0.2853000    
 N   -5.084900     -0.9100000     -4.6300001E-02
 N    5.154700     -0.3479000     -0.6261000    
 C   -1.302400      0.9244000      0.2040000    
 C    1.270800       1.063700      5.4200001E-02
 C   -2.426400       1.682100     -0.1282000    
 C   -1.433800     -0.4427000      0.4523000    
 C   -3.808900     -0.2924000      3.6400001E-02
 C    2.344400       1.608300      0.7589000    
 C    1.490800      4.9100000E-02 -0.8773000    
 C   -3.678900       1.073900     -0.2119000    
 C   -2.686300      -1.050800      0.3685000    
 C    3.638000       1.138400      0.5318000    
 C    2.784400     -0.4209000      -1.104300    
 C    3.858000      0.1239000     -0.3998000    
 C    5.441700      -1.247300      8.0600001E-02
 H  -7.3200002E-02   2.514000      0.5648000    
 H   -2.337500       2.747500     -0.3255000    
 H  -0.5806000      -1.053600      0.7346000    
 H    2.185500       2.398700       1.488000    
 H   0.6771000     -0.3780000      -1.456800    
 H   -4.530800       1.696400     -0.4732000    
 H   -2.750500      -2.116300      0.5738000    
 H    4.467000       1.571700       1.085600    
 H    2.944800      -1.207200      -1.837500    


%chk=000044227-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044227

0 1
O -6.302462 0.045222 -0.262683
O -5.424988 -2.041307 0.060308
O 7.375931 -1.507059 -0.241741
N -0.097883 1.537197 0.175011
N -5.302185 -0.758129 -0.076050
N 5.124036 -0.602052 -0.123184
C -1.356276 0.925624 0.094563
C 1.191499 0.948175 0.106124
C -2.497191 1.759144 -0.124770
C -1.552785 -0.478333 0.271336
C -3.953535 -0.180796 -0.015508
C 2.265962 1.589973 0.781418
C 1.466089 -0.214718 -0.665039
C -3.786388 1.215365 -0.177415
C -2.842648 -1.025525 0.216030
C 3.574435 1.083897 0.701528
C 2.771510 -0.731938 -0.734717
C 3.840493 -0.092674 -0.050103
C 6.242369 -1.055267 -0.175284
H -0.109774 2.549447 0.317060
H -2.358401 2.838067 -0.263825
H -0.703678 -1.128459 0.494499
H 2.071395 2.484512 1.384786
H 0.671464 -0.693217 -1.243672
H -4.665547 1.841611 -0.349446
H -3.011099 -2.095660 0.363376
H 4.394283 1.583618 1.226387
H 2.976974 -1.623517 -1.335189


