%chk=000000831.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000831

1 1
 O  -0.1292000     -6.6500001E-02  0.4473000    
 O    2.299600      -1.831500      0.5182000    
 O    3.183400     -0.7598000      -1.280000    
 O   -1.743300       1.426300     -0.5358000    
 N    3.164400       1.581600      0.2302000    
 N   -3.775300     -0.4270000     -1.3800000E-02
 N   -4.807500     -0.2376000     -0.2824000    
 C    2.201500      0.5302000      0.5538000    
 C   0.8019000      0.9610000      0.1241000    
 C    2.627800     -0.7201000     -0.1914000    
 C   -1.436300      0.2251000      8.3499998E-02
 C   -2.387100     -0.6816000      0.3464000    
 H    2.236700      0.3307000       1.630600    
 H   0.5261000       1.886100      0.6471000    
 H   0.7809000       1.141300     -0.9596000    
 H    3.166800       1.761100     -0.7731000    
 H    4.106000       1.278100      0.4751000    
 H    2.563000      -2.653500      5.2200001E-02
 H   -2.145500      -1.621400      0.8311000    
 H   -2.701100       1.437700     -0.7070000    


%chk=000000831-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000831

1 1
O -0.421432 0.801442 0.969214
O 2.908406 -1.600435 -0.280503
O 0.726924 -1.045252 -0.848693
O -1.349624 1.043156 -1.106326
N 3.251673 1.220277 0.281941
N -3.404086 -0.817795 -0.138981
N -4.369515 -1.134166 -0.720626
C 2.055989 0.471203 0.618422
C 0.877814 1.473781 0.516775
C 1.799837 -0.785279 -0.246073
C -1.351078 0.435189 0.101425
C -2.319093 -0.491750 0.575830
H 2.138821 0.122273 1.664526
H 1.017538 2.285606 1.242084
H 0.739667 1.863757 -0.503454
H 3.473240 1.362922 -0.703510
H 4.059890 1.125770 0.894406
H 2.752237 -2.414764 -0.833154
H -2.204485 -0.961143 1.554194
H -1.849925 0.605408 -1.840996


