%chk=000073781.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073781

0 1
 O   -2.020000      0.2812000      0.5523000    
 N   0.4023000       1.555800      0.2559000    
 C   0.3363000      0.2148000      0.1533000    
 C    1.480400     -0.5692000     -0.1041000    
 C  -0.8847000     -0.4374000      0.3019000    
 C    1.374900      -1.966800     -0.2046000    
 C  -0.9897000      -1.826900      0.2020000    
 C    2.709600      8.6800002E-02 -0.2538000    
 C   0.1412000      -2.592900     -5.1399998E-02
 C   -3.073300      0.1732000     -0.4002000    
 C    2.780800       1.468300     -0.1488000    
 C    1.608000       2.150200      0.1047000    
 C   -3.866000       1.462900     -0.4071000    
 H    2.254300      -2.575900     -0.4023000    
 H   -1.947300      -2.324200      0.3301000    
 H    3.618800     -0.4758000     -0.4532000    
 H   6.4199999E-02  -3.673200     -0.1275000    
 H   -2.677600     -1.0900000E-02  -1.407000    
 H   -3.725500     -0.6606000     -0.1188000    
 H    3.722900       1.991700     -0.2618000    
 H    1.602200       3.231300      0.1972000    
 H   -4.692300       1.410400      -1.121500    
 H   -4.272000       1.671600      0.5881000    
 H   -3.222800       2.308800     -0.6721000    


%chk=000073781-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000073781

0 1
O -1.897971 0.657731 -0.194941
N 0.614323 1.694865 -0.017307
C 0.480895 0.318013 -0.084665
C 1.619965 -0.580130 -0.064918
C -0.849153 -0.254493 -0.178335
C 1.424306 -1.997286 -0.136054
C -1.007214 -1.649822 -0.245633
C 2.921197 0.014730 0.027970
C 0.131355 -2.510908 -0.224195
C -3.275071 0.128050 -0.290973
C 3.046876 1.403146 0.095369
C 1.859697 2.202213 0.069395
C -4.203478 1.339210 -0.293552
H 2.294662 -2.663120 -0.120416
H -2.003628 -2.094812 -0.315061
H 3.804752 -0.634149 0.045198
H -0.026744 -3.593843 -0.278157
H -3.377930 -0.464183 -1.223770
H -3.476219 -0.535727 0.575281
H 4.027021 1.885263 0.167052
H 1.930491 3.295720 0.121006
H -5.257058 1.010851 -0.357120
H -4.072031 1.928662 0.629369
H -3.984342 1.993220 -1.154245


