%chk=000004523.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004523

-1 1
 O   -2.004200      3.4600001E-02   1.900800    
 O   -1.838800       1.793800      -1.186700    
 N   -1.394200     -0.7992000     -0.4277000    
 N    3.301100      0.6232000      4.1400000E-02
 N   -1.801600      0.2932000      0.5114000    
 N   -2.023500       1.668600      2.8899999E-02
 C   0.9657000     -8.4100001E-02 -0.1912000    
 C  -1.6300000E-02  -1.253800     -0.2865000    
 C    2.421400     -0.5360000     -6.1099999E-02
 C   -2.296700      -1.949800     -0.5363000    
 C    4.687000      0.2094000      0.2071000    
 H   0.7307000      0.5422000      0.6779000    
 H   0.8639000      0.5499000      -1.082100    
 H   9.0200000E-02  -1.879300      0.6091000    
 H   0.2596000      -1.871300      -1.150400    
 H    2.691700      -1.136200     -0.9380000    
 H    2.523600      -1.171100      0.8273000    
 H    3.023400       1.195300      0.8385000    
 H   -2.014900      -2.590800      -1.378600    
 H   -3.318800      -1.605000     -0.7250000    
 H   -2.302000      -2.552000      0.3785000    
 H    4.826600     -0.3717000       1.124600    
 H    5.326600       1.095200      0.2700000    
 H    5.029300     -0.3828000     -0.6478000    


%chk=000004523-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004523

-1 1
O -1.992910 -0.791848 1.884984
O -1.201200 2.026514 -0.158532
N -1.410418 -0.732064 -0.507955
N 3.382096 0.502361 -0.341835
N -1.688102 -0.007581 0.832380
N -1.607529 1.363016 0.928133
C 1.027676 -0.224911 -0.682482
C -0.037113 -1.310531 -0.415810
C 2.386169 -0.554853 -0.039949
C -2.449111 -1.784314 -0.646782
C 4.631025 0.396400 0.428390
H 0.632413 0.738251 -0.299510
H 1.157462 -0.084780 -1.772828
H 0.112518 -1.777672 0.589385
H 0.040213 -2.120603 -1.171016
H 2.780406 -1.521105 -0.423588
H 2.236666 -0.684399 1.063357
H 2.946292 1.430432 -0.247065
H -2.298626 -2.283418 -1.624342
H -3.440913 -1.300948 -0.641093
H -2.427156 -2.535633 0.174073
H 4.489553 0.366202 1.540323
H 5.297073 1.247245 0.190330
H 5.163317 -0.533462 0.145535


