%chk=000025376.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025376

0 1
 O    1.657700      4.8200000E-02 -0.6282000    
 O    1.407900      -1.995700      0.4297000    
 N   -2.282500       1.003200      0.3978000    
 C   -3.151800      0.1354000     -0.4076000    
 C  -0.8680000      0.8221000      1.9400001E-02
 C   -2.824400      -1.343700     -0.1514000    
 C  -0.4607000     -0.6216000     -5.7500001E-02
 C   -1.349600      -1.622300     -0.1200000    
 C   -2.675300       2.405000      0.2674000    
 C   0.9631000     -0.9607000     -4.2900000E-02
 C    2.991000      0.2379000     -0.1437000    
 C    3.646600       1.374200     -0.9137000    
 C    2.945900      0.5179000       1.350700    
 H   -3.042000      0.3616000      -1.477100    
 H   -4.204800      0.3017000     -0.1492000    
 H  -0.2506000       1.330400      0.7704000    
 H  -0.6690000       1.293500     -0.9525000    
 H   -3.291600      -1.952300     -0.9339000    
 H   -3.254400      -1.659600      0.8070000    
 H   -1.039100      -2.662300     -0.1549000    
 H   -2.043000       3.041600      0.8963000    
 H   -3.705800       2.548500      0.6107000    
 H   -2.604100       2.761200     -0.7666000    
 H    3.567600     -0.6762000     -0.3328000    
 H    4.677500       1.537100     -0.5855000    
 H    3.651100       1.154200      -1.986700    
 H    3.085000       2.306300     -0.7868000    
 H    3.941800      0.7708000       1.729200    
 H    2.589100     -0.3402000       1.927600    
 H    2.271600       1.352800       1.572300    


%chk=000025376-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025376

0 1
O 1.638726 0.419303 -0.054367
O 1.436336 -1.905024 0.104676
N -2.501377 1.051191 0.200594
C -3.300014 0.037675 -0.522932
C -1.053304 0.943765 -0.084011
C -2.924100 -1.375205 -0.031215
C -0.565043 -0.491599 -0.001509
C -1.427871 -1.547724 0.042830
C -2.993794 2.426296 0.008410
C 0.897557 -0.769440 0.028420
C 3.139350 0.284998 -0.028162
C 3.670093 1.515644 -0.766888
C 3.600876 0.183716 1.433010
H -3.143712 0.097847 -1.631938
H -4.370778 0.233929 -0.331378
H -0.500574 1.563837 0.645052
H -0.792874 1.354246 -1.095880
H -3.361248 -2.143542 -0.700157
H -3.360890 -1.548487 0.973476
H -1.010013 -2.559934 0.124092
H -2.404795 3.122126 0.633108
H -4.049616 2.493497 0.326143
H -2.927106 2.779081 -1.052756
H 3.388260 -0.648815 -0.566215
H 4.773667 1.478960 -0.813918
H 3.277752 1.554636 -1.797485
H 3.374224 2.442888 -0.244993
H 4.703331 0.112531 1.476719
H 3.178848 -0.714826 1.913267
H 3.287289 1.077433 2.001507


