%chk=000097973.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097973

0 1
 O   0.4152000      -1.301200     -0.4603000    
 N    4.686000       2.121400     -0.4194000    
 C   0.3123000     -0.1226000      0.3424000    
 C    1.435100      0.8499000     -6.1299998E-02
 C   -1.078900      0.4403000      0.1676000    
 C  -2.0099999E-02  -2.447300      0.2525000    
 C    2.855400      0.3291000      0.1713000    
 C   -1.670500       1.124000       1.217100    
 C   -1.735900      0.2622000      -1.039100    
 C  -0.6282000      -3.442800     -0.7236000    
 C    1.156800      -3.042900       1.010000    
 C   -2.954700       1.644000       1.055800    
 C   -3.020100      0.7821000      -1.200300    
 C   -3.629500       1.473100     -0.1529000    
 C    3.877300       1.330800     -0.1598000    
 H   0.4661000     -0.3716000       1.401400    
 H    1.330100       1.097600      -1.127000    
 H    1.304700       1.794300      0.4848000    
 H  -0.8094000      -2.190200      0.9715000    
 H    3.023000     -0.5713000     -0.4306000    
 H    2.967400      3.4899998E-02   1.221300    
 H   -1.152300       1.263900       2.161300    
 H   -1.278600     -0.2558000      -1.876800    
 H  -0.9772000      -4.343900     -0.2099000    
 H   -1.475300      -2.992900      -1.252100    
 H   0.1000000      -3.734600      -1.488300    
 H   0.8645000      -3.953200       1.542700    
 H    1.562600      -2.336400       1.740700    
 H    1.975700      -3.288400      0.3246000    
 H   -3.429000       2.182600       1.871000    
 H   -3.544300      0.6528000      -2.142700    
 H   -4.629000       1.878900     -0.2790000    


%chk=000097973-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097973

0 1
O 0.622973 -1.334018 -0.359391
N 4.672746 2.050618 -1.166356
C 0.420191 -0.078488 0.387305
C 1.431118 0.918226 -0.221377
C -1.012719 0.441054 0.278556
C -0.110082 -2.519230 0.166554
C 2.888042 0.403151 -0.069454
C -1.671647 0.983928 1.408173
C -1.686857 0.420912 -0.969073
C -0.100264 -3.535700 -0.981090
C 0.558671 -3.060577 1.444748
C -2.978973 1.511232 1.294583
C -2.993810 0.941253 -1.084230
C -3.642958 1.492001 0.046882
C 3.878430 1.308852 -0.672357
H 0.669082 -0.228778 1.462655
H 1.194849 1.055455 -1.292003
H 1.314876 1.900011 0.271958
H -1.154871 -2.214678 0.388424
H 2.959244 -0.593218 -0.541868
H 3.135770 0.272865 1.002598
H -1.161927 0.995256 2.380472
H -1.183519 -0.019863 -1.837553
H -0.621396 -4.463472 -0.683438
H -0.602166 -3.119372 -1.871194
H 0.938548 -3.790822 -1.257504
H 0.014533 -3.950301 1.811826
H 0.560489 -2.313616 2.259203
H 1.603531 -3.352944 1.235540
H -3.478504 1.929638 2.175598
H -3.507330 0.919803 -2.052122
H -4.656868 1.897620 -0.043165


