%chk=000043813.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043813

0 1
 O    3.294000       1.498000      0.2830000    
 O    1.499600       1.388100      -1.106400    
 O   0.8042000      -2.526700     -0.7932000    
 N   0.3915000     -0.6951000      0.1681000    
 N   0.3384000      -2.013600      0.2313000    
 C   -1.925200      3.2699998E-02 -0.1648000    
 C  -0.7358000     -1.3200000E-02  0.7929000    
 C   -3.126700      0.7256000      0.4791000    
 C    1.653800     -0.1801000      0.7176000    
 C   -4.303400      0.8069000     -0.4803000    
 C    2.109600      0.9772000     -0.1274000    
 H   -2.218100     -0.9825000     -0.4605000    
 H   -1.642500      0.5661000      -1.081500    
 H  -0.4796000       1.029700       1.026700    
 H   -1.016700     -0.4798000       1.747500    
 H   -2.849800       1.739200      0.7917000    
 H   -3.432600      0.1803000       1.379500    
 H    2.459400     -0.9258000      0.6532000    
 H    1.565000      0.1286000       1.766400    
 H   -5.151000       1.305000      7.9999998E-04
 H   -4.039600       1.376000      -1.377500    
 H   -4.627200     -0.1921000     -0.7895000    
 H    3.585600       2.239300     -0.2894000    


%chk=000043813-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043813

0 1
O 2.975202 1.719176 0.046771
O 1.048411 1.338393 -1.201223
O 1.298454 -2.777451 -0.206409
N 0.409512 -0.868081 0.602720
N 0.231545 -2.181194 0.197034
C -1.850336 0.063808 -0.054184
C -0.822979 -0.187221 1.072346
C -3.116505 0.772979 0.476152
C 1.735150 -0.239429 0.598651
C -4.162407 1.006882 -0.635393
C 1.828309 0.990119 -0.292272
H -2.123309 -0.910675 -0.501982
H -1.374591 0.668096 -0.847833
H -0.512397 0.770283 1.528053
H -1.277888 -0.806780 1.868155
H -2.835457 1.746866 0.927706
H -3.569944 0.168734 1.288826
H 2.433569 -1.016916 0.216893
H 2.061588 0.029698 1.619252
H -5.061154 1.516164 -0.242297
H -3.744566 1.632212 -1.446082
H -4.484144 0.048315 -1.083279
H 3.066836 2.499821 -0.564306


