%chk=000004471.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004471

1 1
 O   -3.579700       1.220200       1.129600    
 O   -4.299900      0.2650000     -0.7963000    
 N    1.716200     -7.1099997E-02 -0.2606000    
 N   -2.688700      -1.899100     -0.4989000    
 N    3.940900     -0.8990000      0.2124000    
 N    3.589100       1.477000     -0.1620000    
 C   -1.128300     -0.3031000      0.5813000    
 C  -0.6476000      0.3972000     -0.6999000    
 C   -2.563000     -0.8479000      0.5101000    
 C   0.7615000      0.9705000     -0.5566000    
 C   -3.569600      0.2415000      0.1860000    
 C    3.091000      0.1770000     -6.9399998E-02
 C    5.377900     -0.7283000      0.4244000    
 H  -0.4548000      -1.130300      0.8356000    
 H   -1.060600      0.4102000       1.413000    
 H   -1.327800       1.214400     -0.9642000    
 H  -0.6500000     -0.3131000      -1.534400    
 H   -2.844800      -1.277900       1.477900    
 H    1.046700       1.453700      -1.496700    
 H   0.7757000       1.706900      0.2539000    
 H    1.415700      -1.042400     -0.2075000    
 H   -1.995500      -2.625600     -0.3235000    
 H   -2.480100      -1.528600      -1.424800    
 H    3.532600      -1.829600      0.2702000    
 H    2.984300       2.268100     -0.3669000    
 H    4.576200       1.680800     -2.8300000E-02
 H   -4.229900       1.923800      0.9188000    
 H    5.812200      -1.711100      0.6271000    
 H    5.547800     -8.4600002E-02   1.290700    
 H    5.837200     -0.3221000     -0.4800000    


%chk=000004471-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004471

1 1
O -2.414830 -0.663201 -1.632532
O -0.353952 -1.626945 -1.193971
N 1.331410 0.372365 0.653535
N -0.643361 -1.258097 1.525026
N 2.477996 -1.105068 -0.743212
N 3.422292 1.011757 -0.278239
C -1.801806 0.890448 0.851210
C -0.686530 1.794968 0.260500
C -1.697288 -0.659109 0.656471
C 0.726943 1.699926 0.895221
C -1.389180 -1.038831 -0.793226
C 2.405781 0.105744 -0.121067
C 3.700547 -1.671431 -1.336670
H -1.903462 1.077337 1.939548
H -2.758507 1.198565 0.393161
H -1.027053 2.841452 0.382831
H -0.600219 1.625881 -0.830825
H -2.704244 -1.071801 0.877474
H 1.361619 2.492991 0.460816
H 0.667190 1.883761 1.985347
H 0.695762 -0.433188 0.995005
H -0.827800 -1.071142 2.520254
H -0.538031 -2.271761 1.375783
H 1.577016 -1.584145 -0.890641
H 3.535504 1.786107 0.372080
H 4.110205 0.910683 -1.021631
H -2.236219 -0.928876 -2.575760
H 3.563540 -2.756621 -1.460282
H 4.567231 -1.514016 -0.671173
H 3.924142 -1.245251 -2.334033


