%chk=000028558.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028558

0 1
 O   -1.044600       1.633100      0.7160000    
 O   -1.905300      0.5094000      -1.057100    
 N    1.751400      0.3912000      0.1727000    
 N   -1.223000      -1.859700      0.1664000    
 C  -0.4429000     -0.6697000      0.4995000    
 C   0.9656000     -0.7871000     -8.4799998E-02
 C   -1.208200      0.5218000     -5.1100001E-02
 C    3.106900      0.2610000     -0.3617000    
 H  -0.4019000     -0.5857000       1.592400    
 H   0.8935000     -0.9433000      -1.169600    
 H    1.457100      -1.672000      0.3404000    
 H    1.802700      0.5636000       1.176300    
 H   -2.125000      -1.822900      0.6404000    
 H  -0.7506000      -2.690100      0.5222000    
 H    3.642700     -0.5715000      0.1058000    
 H    3.665900       1.179700     -0.1592000    
 H    3.091300      0.1160000      -1.446700    
 H   -1.543700       2.398900      0.3600000    


%chk=000028558-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028558

0 1
O -2.019695 1.207373 0.620802
O -0.692056 1.062673 -1.278735
N 1.986468 0.119466 0.415590
N -1.318530 -1.680457 0.437742
C -0.380263 -0.553668 0.609174
C 1.001289 -0.896683 0.017330
C -0.981790 0.639829 -0.144104
C 3.152309 0.276364 -0.470309
H -0.246371 -0.240280 1.671505
H 0.918137 -0.892466 -1.083697
H 1.274876 -1.938680 0.324811
H 2.240269 0.059381 1.408669
H -2.232999 -1.549320 0.876039
H -0.908669 -2.602533 0.604287
H 3.777214 -0.642453 -0.587173
H 3.801419 1.083202 -0.085696
H 2.805066 0.578600 -1.474736
H -2.444773 1.942350 0.100402


