%chk=000042962.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042962

0 1
 O   0.8808000       2.088700      0.1726000    
 N    1.390600     -0.2219000      0.2744000    
 N   -1.565700      0.3444000     -0.5581000    
 C    2.794500     -0.2760000      0.1120000    
 C    3.431600      -1.506300      0.1193000    
 C    3.503900      0.9025000     -5.2099999E-02
 C   -2.905300      2.9100001E-02 -0.3106000    
 C    4.816100      -1.559400     -4.1800000E-02
 C    4.888500      0.8494000     -0.2134000    
 C    5.544500     -0.3816000     -0.2082000    
 C   0.6023000      0.9077000      0.2917000    
 C   -3.858400       1.044800     -0.2355000    
 C   -3.288300      -1.300900     -0.1385000    
 C   -5.194800      0.7303000      1.1500000E-02
 C   -4.624700      -1.615500      0.1084000    
 C   -5.577800     -0.5998000      0.1834000    
 C  -0.8379000      0.5644000      0.4850000    
 H    2.873700      -2.429600      0.2480000    
 H    3.062900       1.889000     -6.6000000E-02
 H   0.9291000      -1.121800      0.3905000    
 H    5.327100      -2.517800     -3.7900001E-02
 H    5.457000       1.765900     -0.3430000    
 H    6.622500     -0.4229000     -0.3337000    
 H   -3.570100       2.084200     -0.3688000    
 H   -2.553200      -2.099600     -0.1957000    
 H   -5.937000       1.521000      6.9700003E-02
 H   -4.923100      -2.651200      0.2422000    
 H   -6.618300     -0.8447000      0.3756000    
 H   -1.181800      0.5177000       1.532600    


%chk=000042962-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042962

0 1
O 1.175017 2.458994 0.741914
N 1.322470 0.167538 0.130453
N -1.373691 0.005810 0.174279
C 2.715169 -0.062422 0.019340
C 3.139340 -1.371005 -0.343521
C 3.682881 0.953341 0.254255
C -2.778440 -0.217886 0.111070
C 4.511753 -1.661923 -0.470265
C 5.053230 0.643731 0.123060
C 5.479340 -0.655688 -0.237457
C 0.651787 1.332680 0.463101
C -3.732511 0.800524 -0.176416
C -3.220867 -1.553416 0.307258
C -5.103653 0.481396 -0.239948
C -4.595678 -1.861918 0.259486
C -5.542218 -0.846132 -0.013981
C -0.843942 1.162411 0.469996
H 2.392640 -2.154378 -0.525808
H 3.349499 1.955351 0.531908
H 0.680403 -0.618304 -0.054707
H 4.825791 -2.673421 -0.750686
H 5.794692 1.429749 0.305397
H 6.546335 -0.882066 -0.335746
H -3.400696 1.825019 -0.380779
H -2.470736 -2.325779 0.504889
H -5.832565 1.265022 -0.474116
H -4.928560 -2.892226 0.424526
H -6.609401 -1.087401 -0.064939
H -1.398688 2.072497 0.761037


