%chk=000081848.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081848

0 1
 O    1.064500      -1.818400      -1.060200    
 N    1.119100      0.4471000     -0.4230000    
 N   -2.351000     -0.4347000      0.1745000    
 C    2.006100       1.306800      0.3244000    
 C    2.792700      0.3316000       1.177200    
 C  -1.7200001E-02  0.9754000      -1.146100    
 C    2.841600     -0.9361000      0.3328000    
 C   -1.043800       1.631800     -0.2250000    
 C    1.560400     -0.8734000     -0.4652000    
 C   -1.664700      0.6855000      0.8065000    
 C   -3.438900      4.3299999E-02 -0.6809000    
 C   -2.868900      -1.358900       1.185000    
 H    1.462800       2.024800      0.9419000    
 H    2.649200       1.837600     -0.3851000    
 H  -0.4742000      0.1749000      -1.737000    
 H   0.3676000       1.717400      -1.855200    
 H    2.246400      0.1279000       2.106900    
 H    3.785000      0.7046000       1.445300    
 H    2.875100      -1.836100      0.9514000    
 H    3.688500     -0.9232000     -0.3602000    
 H   -1.816700       2.113600     -0.8344000    
 H  -0.5751000       2.459700      0.3203000    
 H   -2.351400       1.258400       1.443900    
 H  -0.8698000      0.3115000       1.463900    
 H   -4.126000      0.7115000     -0.1491000    
 H   -4.024400     -0.8035000      -1.059200    
 H   -3.065400      0.5514000      -1.574900    
 H   -3.607000     -0.8834000       1.841000    
 H   -2.053300      -1.746200       1.805800    
 H   -3.337800      -2.227300      0.7091000    


%chk=000081848-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081848

0 1
O 0.688456 -1.846979 0.057896
N 1.220865 0.437764 -0.239173
N -2.688926 -0.267054 -0.073001
C 2.343533 1.366469 0.005012
C 3.223078 0.612946 1.044272
C 0.032221 0.836037 -1.012164
C 2.877291 -0.880407 0.818062
C -1.018361 1.592698 -0.163643
C 1.473220 -0.861413 0.187410
C -1.813781 0.615365 0.734479
C -3.995608 0.337353 -0.383867
C -2.796182 -1.646935 0.443354
H 1.978568 2.337559 0.387317
H 2.895740 1.561047 -0.938825
H -0.443387 -0.082074 -1.403737
H 0.364980 1.455286 -1.868533
H 2.934805 0.916759 2.066012
H 4.294742 0.835816 0.913096
H 2.873186 -1.483716 1.739870
H 3.570062 -1.368443 0.106299
H -1.714412 2.120097 -0.844805
H -0.526328 2.368620 0.457751
H -2.395321 1.188656 1.498892
H -1.095783 -0.018408 1.285847
H -4.648591 0.469201 0.518009
H -4.538969 -0.298525 -1.106317
H -3.858167 1.331002 -0.847810
H -3.312179 -1.714999 1.435078
H -1.783942 -2.076523 0.532834
H -3.367412 -2.263597 -0.275217


