%chk=000022438.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022438

0 1
 O    3.255700       1.535000     -0.7756000    
 O    2.164900       1.649800       1.134300    
 N    2.498400       1.082200      8.9000002E-02
 C   -1.914000     -0.1436000     -0.6437000    
 C  -0.5719000     -6.3299999E-02  8.9900002E-02
 C   -3.085600      4.8900001E-02  0.3216000    
 C   0.6374000     -0.2216000     -0.8418000    
 C   -4.424800     -6.9999998E-04 -0.4135000    
 C    1.957800     -0.2211000     -0.1415000    
 C   -5.590300      0.2234000      0.5367000    
 C    2.707700      -1.217300      0.3471000    
 C    2.364600      -2.671700      0.2976000    
 H   -2.001700      -1.116000      -1.143100    
 H   -1.948700      0.6262000      -1.424100    
 H  -0.5068000      0.9000000      0.6108000    
 H  -0.5389000     -0.8420000      0.8628000    
 H   -3.059400     -0.7303000       1.093100    
 H   -2.984300       1.013800      0.8332000    
 H   0.5282000      -1.157900      -1.403200    
 H   0.6157000      0.5689000      -1.603900    
 H   -4.542700     -0.9724000     -0.9069000    
 H   -4.448800      0.7660000      -1.196700    
 H   -6.537900      0.1826000     -9.6000005E-03
 H   -5.519200       1.202500       1.021000    
 H   -5.614100     -0.5449000       1.316100    
 H    3.652300     -0.9950000      0.8423000    
 H    1.385200      -2.864000     -0.1484000    
 H    3.117600      -3.211100     -0.2848000    
 H    2.356500      -3.083000       1.311800    


%chk=000022438-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022438

0 1
O 3.642232 1.322623 0.678042
O 1.759531 2.143832 -0.302904
N 2.501910 1.160495 0.092456
C -1.916022 -0.137232 -0.595193
C -0.557599 -0.071011 0.136533
C -3.120930 0.071609 0.349554
C 0.638764 -0.296149 -0.831200
C -4.483083 0.014856 -0.379353
C 1.984498 -0.226568 -0.152183
C -5.682436 0.227654 0.569484
C 2.774313 -1.249221 0.282545
C 2.462820 -2.715759 0.172379
H -2.016421 -1.118642 -1.105550
H -1.938755 0.634186 -1.392714
H -0.447272 0.917249 0.621779
H -0.527857 -0.834028 0.940543
H -3.101716 -0.699075 1.148537
H -3.020567 1.051776 0.860251
H 0.535764 -1.284745 -1.315292
H 0.593956 0.467431 -1.628736
H -4.583212 -0.964805 -0.890211
H -4.500748 0.784885 -1.177439
H -6.643404 0.181597 0.024837
H -5.623089 1.213858 1.067380
H -5.704715 -0.545774 1.360473
H 3.722195 -0.971597 0.763786
H 1.503059 -2.922545 -0.326804
H 3.267468 -3.237730 -0.381015
H 2.434216 -3.173770 1.180514


