%chk=000004906.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004906

0 1
 O  -0.7432000       1.219700      -1.500600    
 N   -3.083600      0.5844000      6.7100003E-02
 N   0.2729000      0.5688000      0.5128000    
 C   -1.984900       1.414800      0.5546000    
 C   -2.763700     -0.8284000      0.2037000    
 C   -3.916500      -1.685300     -0.3131000    
 C  -0.7594000       1.058800     -0.2835000    
 C   -2.356900       2.886400      0.4163000    
 C    1.555000      0.1382000      9.6100003E-02
 C    2.471900     -0.3248000       1.026400    
 C   -3.615600      -3.168400     -0.1615000    
 C    1.864400      0.1924000      -1.254100    
 C    3.730400     -0.7448000      0.5957000    
 C    2.150700     -0.3882000       2.484500    
 C    3.122800     -0.2276000      -1.684700    
 C    4.055800     -0.6961000     -0.7598000    
 H   -1.813600       1.210900       1.618400    
 H   -1.874700      -1.108900     -0.3714000    
 H   -2.574000      -1.074300       1.256100    
 H   -3.934800      0.7988000      0.5861000    
 H   -4.836600      -1.451900      0.2366000    
 H   -4.105900      -1.463900      -1.370600    
 H   -2.572300       3.154100     -0.6246000    
 H   -3.236900       3.131600       1.020700    
 H   -1.528900       3.521800      0.7496000    
 H   9.4099998E-02  0.5067000       1.510800    
 H   -2.721200      -3.447800     -0.7276000    
 H   -3.454000      -3.430900      0.8889000    
 H   -4.453700      -3.764900     -0.5353000    
 H    1.204900      0.5381000      -2.035100    
 H    4.469500      -1.112800       1.302400    
 H    2.991400     -0.7787000       3.068600    
 H    1.924900      0.6104000       2.873100    
 H    1.298600      -1.052700       2.662700    
 H    3.377700     -0.1908000      -2.740000    
 H    5.035600      -1.023200      -1.095200    


%chk=000004906-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004906

0 1
O -0.557983 1.551136 -1.554921
N -3.016536 0.510474 0.012784
N 0.354117 0.586258 0.389408
C -1.964824 1.428041 0.476915
C -2.834485 -0.919799 0.313972
C -4.040386 -1.746150 -0.174854
C -0.662926 1.198816 -0.346543
C -2.422276 2.888078 0.293405
C 1.672872 0.226518 -0.016065
C 2.515306 -0.402614 0.956199
C -3.889546 -3.250207 0.136193
C 2.149935 0.473883 -1.330534
C 3.826811 -0.764115 0.572580
C 2.021016 -0.679672 2.367384
C 3.464908 0.099783 -1.678697
C 4.310927 -0.519504 -0.732783
H -1.722570 1.259614 1.564308
H -1.921782 -1.277304 -0.202941
H -2.677971 -1.111031 1.410159
H -3.958482 0.853261 0.237552
H -4.965952 -1.360116 0.302058
H -4.153775 -1.587591 -1.263676
H -2.572502 3.086684 -0.780706
H -3.369454 3.071303 0.834980
H -1.665268 3.593629 0.677562
H 0.110168 0.362776 1.357042
H -2.987111 -3.666427 -0.349410
H -3.799729 -3.427961 1.224615
H -4.761477 -3.822155 -0.228805
H 1.485773 0.950935 -2.053399
H 4.477781 -1.245830 1.312212
H 2.807592 -1.170401 2.963779
H 1.741757 0.249604 2.904546
H 1.140242 -1.353821 2.378659
H 3.824392 0.295152 -2.695068
H 5.331638 -0.809746 -1.003811


