%chk=000078893.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078893

0 1
 O  -0.2300000       1.836600      0.2944000    
 N   0.4689000     -0.3710000     -8.4600002E-02
 N    4.645900     -4.9300000E-02 -1.5799999E-02
 C   -1.877000      0.2140000      3.7400000E-02
 C    1.881000     -0.2621000     -6.1500002E-02
 C  -0.4874000      0.6397000      8.6999997E-02
 C   -2.867100       1.110700     -0.3644000    
 C   -2.219900      -1.091100      0.3910000    
 C    2.461000      0.9712000      0.1533000    
 C    2.649600      -1.391800     -0.2539000    
 C   -4.200000      0.7025000     -0.4122000    
 C   -3.552800      -1.499200      0.3430000    
 C   -4.542900     -0.6024000     -5.8600001E-02
 C    3.845400       1.024700      0.1671000    
 C    4.025500      -1.232400     -0.2221000    
 H   0.1416000      -1.310900     -0.2907000    
 H   -2.621000       2.130400     -0.6491000    
 H   -1.491000      -1.813200      0.7468000    
 H    1.937200       1.900200      0.3119000    
 H    2.212100      -2.369200     -0.4237000    
 H   -4.971100       1.400300     -0.7256000    
 H   -3.821800      -2.512600      0.6267000    
 H   -5.581000     -0.9197000     -9.4200000E-02
 H    4.364400       1.963500      0.3309000    
 H    4.686300      -2.081000     -0.3663000    


%chk=000078893-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078893

0 1
O -0.212763 1.887922 0.139799
N 0.488575 -0.340008 -0.100843
N 4.756658 -0.070702 0.011530
C -1.913523 0.160598 0.010853
C 1.896408 -0.197493 -0.059417
C -0.490596 0.655959 0.030798
C -2.918442 1.093039 -0.354881
C -2.291121 -1.160922 0.371021
C 2.562574 1.037755 0.164064
C 2.691536 -1.361522 -0.248867
C -4.273134 0.705587 -0.388487
C -3.649349 -1.546023 0.342521
C -4.642366 -0.616802 -0.044723
C 3.973975 1.036589 0.189824
C 4.094581 -1.247897 -0.205354
H 0.150004 -1.285933 -0.291001
H -2.611489 2.114568 -0.601228
H -1.546696 -1.886295 0.723032
H 1.993019 1.956569 0.304630
H 2.228189 -2.339786 -0.426455
H -5.040707 1.430782 -0.678923
H -3.933403 -2.563044 0.633413
H -5.695498 -0.917555 -0.067274
H 4.513760 1.974705 0.361705
H 4.725709 -2.132191 -0.348935


