%chk=000046430.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046430

0 1
 O   -2.188500      0.5226000      -1.140900    
 N    1.826100     -0.2559000      0.2754000    
 N   -2.939100     -0.5095000      0.7699000    
 C   0.5438000      0.3201000     -0.1356000    
 C  -0.5860000     -0.6345000      0.2701000    
 C   0.3955000       1.691700      0.5232000    
 C    2.929000      0.6080000     -0.1413000    
 C    1.984800      -1.596600     -0.2849000    
 C   -1.965700     -0.1459000     -0.1360000    
 H   0.5089000      0.4596000      -1.225300    
 H  -0.5067000      -1.607800     -0.2268000    
 H  -0.5598000     -0.8095000       1.353400    
 H    1.062600       2.440300      8.3700001E-02
 H  -0.6166000       2.089200      0.3934000    
 H   0.5843000       1.646100       1.602200    
 H    2.965800       1.538200      0.4339000    
 H    2.894500      0.8461000      -1.210700    
 H    3.892200      0.1221000      5.7999998E-02
 H    1.777500      -1.633300      -1.360700    
 H    1.367900      -2.335700      0.2358000    
 H    3.012100      -1.953700     -0.1389000    
 H   -3.907000     -0.2396000      0.6285000    
 H   -2.739300      -1.062900       1.596900    


%chk=000046430-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046430

0 1
O -2.245625 -0.161986 -1.300279
N 1.839288 -0.358389 0.176128
N -2.997844 -0.221162 0.891544
C 0.493113 0.224148 -0.132461
C -0.611237 -0.700886 0.457526
C 0.318856 1.647576 0.437287
C 2.967119 0.595206 0.074023
C 2.126768 -1.563352 -0.636673
C -2.002017 -0.336944 -0.068380
H 0.327748 0.270042 -1.237777
H -0.423526 -1.748385 0.159244
H -0.558755 -0.660325 1.561468
H 0.979020 2.378782 -0.058806
H -0.720278 1.983221 0.274148
H 0.525516 1.663799 1.524090
H 2.837852 1.431061 0.779301
H 3.105362 1.020527 -0.952767
H 3.899446 0.069418 0.348580
H 2.177393 -1.346901 -1.733743
H 1.358470 -2.339558 -0.483635
H 3.096010 -1.991821 -0.325172
H -3.947533 -0.008306 0.585609
H -2.808847 -0.346665 1.884047


