%chk=000072687.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072687

0 1
 O   -1.342700       1.582300      0.6993000    
 O    1.088800       1.736500     -1.6200000E-02
 N   -1.018400      -1.920400      0.1072000    
 N    1.197700      -1.862600     -2.6000001E-02
 N   -2.883800      0.2570000     -0.3932000    
 N    2.921600      0.3375000     -0.1130000    
 N   -3.851100       1.243800     -0.3491000    
 N    3.802700       1.400600     -0.1837000    
 C  -0.6785000     -0.5969000      9.6500002E-02
 C   0.6940000     -0.5866000      1.4300000E-02
 C   -1.610000      0.4814000      0.1603000    
 C   0.1406000      -2.641700      3.2200001E-02
 C    1.539200      0.5691000     -2.8600000E-02
 H   -1.953800      -2.301100      0.1639000    
 H   0.1448000      -3.722300      2.4800001E-02
 H   -3.131300     -0.6203000     -0.8408000    
 H    3.307200     -0.6018000     -0.1329000    
 H   -4.139400       1.417000      -1.311100    
 H   -4.661700      0.8411000      0.1194000    
 H    4.458300       1.291800      0.5890000    
 H    4.348100       1.275200      -1.035400    


%chk=000072687-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072687

0 1
O -3.213503 -0.767381 0.461389
O 0.682450 1.480787 -0.718549
N -0.942854 -2.326843 0.716737
N 1.260762 -1.999573 0.390023
N -1.962045 1.032627 -0.361251
N 2.636906 0.235680 -0.464292
N -3.098574 1.879636 -0.367811
N 3.513260 1.269974 -0.876333
C -0.829912 -1.016034 0.259934
C 0.554670 -0.825078 0.059670
C -2.085873 -0.242606 0.116906
C 0.324066 -2.884467 0.780467
C 1.269711 0.380749 -0.401442
H -1.854339 -2.729705 0.953719
H 0.516064 -3.903432 1.105386
H -1.007994 1.443298 -0.528266
H 3.049387 -0.662680 -0.194776
H -3.887400 1.367298 0.056609
H -3.307518 2.219148 -1.315882
H 3.438307 2.081444 -0.246831
H 3.316729 1.546759 -1.848506


