%chk=000094489.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094489

0 1
 O   -2.194000      -1.078300      0.4563000    
 O    2.226500      -1.676000     -0.3892000    
 N   -2.776400       1.065800     -0.2199000    
 N   0.4425000     -0.5279000     -7.8599997E-02
 N    3.993800      0.5955000      7.6800004E-02
 N    5.072100      0.5844000      4.4000000E-02
 C   -4.203600      0.8560000     -0.3125000    
 C  -0.4578000      0.5818000      0.2004000    
 C   -1.884400      7.3500000E-02  0.1596000    
 C   -4.573800     -0.5706000      5.6299999E-02
 C    1.821600     -0.5137000     -0.1143000    
 C    2.533500      0.6095000      0.1210000    
 H  -0.2733000      0.9897000       1.200000    
 H  -0.3156000       1.371700     -0.5449000    
 H   -4.688500       1.571300      0.3586000    
 H   -4.507200       1.086000      -1.338300    
 H   -2.426900       1.994700     -0.4357000    
 H   -4.163600      -1.312100     -0.6370000    
 H   -4.349400     -0.8149000       1.099800    
 H   -5.663600     -0.6685000     -3.2200001E-02
 H   2.5100000E-02  -1.433000     -0.2774000    
 H    2.056100       1.556400      0.3494000    


%chk=000094489-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094489

0 1
O -1.858822 -1.025413 -1.363385
O 2.813640 -1.296224 -1.040827
N -2.773294 0.718046 -0.109509
N 0.664763 -0.487023 -0.659121
N 3.840650 0.701416 0.636282
N 5.010664 0.713847 0.781846
C -4.181176 0.437666 -0.456891
C -0.326548 0.405662 -0.077163
C -1.722684 -0.038991 -0.578569
C -5.012478 -0.009808 0.762339
C 2.039724 -0.459612 -0.478231
C 2.538525 0.618264 0.420196
H -0.319120 0.367384 1.033704
H -0.161659 1.462794 -0.378033
H -4.626599 1.340547 -0.917494
H -4.157102 -0.354899 -1.223141
H -2.580938 1.486660 0.536902
H -4.600101 -0.936508 1.197348
H -5.032739 0.766396 1.550198
H -6.056071 -0.205850 0.456801
H 0.282151 -1.218881 -1.273347
H 1.912315 1.355827 0.922295


