%chk=000012778.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012778

0 1
 O    3.555600     -0.3632000      9.9999997E-05
 O   -3.932000     -0.1205000       0.000000    
 N    2.187200     -0.1424000     -9.9999997E-05
 N   -2.751100     -0.4857000       0.000000    
 C  -0.5558000      0.3003000       0.000000    
 C   0.3825000       1.432100     -9.9999997E-05
 C  -2.1199999E-02  -1.069200     -9.9999997E-05
 C    1.699500       1.154800      9.9999997E-05
 C    1.316200      -1.220300      9.9999997E-05
 C   -1.880900      0.5141000       0.000000    
 H   1.8100001E-02   2.452700       0.000000    
 H  -0.6606000      -1.943800     -9.9999997E-05
 H    2.459300       1.927100      1.9999999E-04
 H    1.795000      -2.192200      9.9999997E-05
 H   -2.260200       1.534700       0.000000    
 H    3.754800     -0.3955000      0.9517000    


%chk=000012778-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012778

0 1
O 3.621062 -0.368839 -0.058330
O -4.104765 -0.221078 -0.031362
N 2.205744 -0.138305 0.121547
N -2.829138 -0.529005 -0.008841
C -0.576303 0.324125 0.005717
C 0.387343 1.411890 0.004476
C -0.018241 -1.022556 0.010140
C 1.747337 1.168968 0.043610
C 1.343672 -1.231415 0.048554
C -1.963689 0.563579 -0.015985
H 0.041568 2.448931 -0.031108
H -0.707640 -1.869597 -0.020713
H 2.515076 1.944090 0.022276
H 1.820475 -2.212866 0.030098
H -2.369591 1.588436 -0.031505
H 3.993490 -0.473358 0.863326


