%chk=000121454.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121454

0 1
 O   -3.512200      0.8260000      0.9323000    
 O   0.3602000      -1.412000      -1.966900    
 O   0.4870000       1.493400       1.719900    
 O    3.929500      -1.432400      0.9170000    
 N    2.187400      -1.351100     -0.5811000    
 N    2.250400      9.9799998E-02   1.260900    
 C   0.5781000      0.4986000     -0.4897000    
 C  -0.9510000      0.6303000     -0.5409000    
 C   -1.634100     -0.5089000      0.2254000    
 C   -3.171400     -0.4042000      0.2894000    
 C    1.212300       1.589600      -1.370900    
 C   0.9939000     -0.8469000      -1.076000    
 C    1.062900      0.7388000      0.9366000    
 C   -3.729700      -1.549900       1.140000    
 C   -3.816900     -0.4213000      -1.097900    
 C   0.8816000       2.968700     -0.8465000    
 C    2.871900     -0.9186000      0.5483000    
 H   -1.292600       1.575100     -0.1067000    
 H   -1.288100      0.6213000      -1.584400    
 H   -1.378000      -1.481800     -0.2074000    
 H   -1.255700     -0.5158000       1.255500    
 H   0.8613000       1.497700      -2.406800    
 H    2.303700       1.477500      -1.407100    
 H   -4.818000      -1.468500       1.241900    
 H   -3.322700      -1.515000       2.157100    
 H   -3.495600      -2.526800      0.7045000    
 H   -3.559100      0.4751000      -1.671300    
 H   -4.910300     -0.4187000      -1.017200    
 H   -3.518200      -1.305600      -1.669800    
 H  -0.1886000       3.182800     -0.8114000    
 H    1.326700       3.178700      0.1294000    
 H    1.311100       3.711400      -1.530400    
 H    2.560500      -2.173700      -1.046700    
 H    2.669900      0.3467000       2.152900    
 H   -4.482000      0.8840000      0.9759000    


%chk=000121454-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121454

0 1
O -3.508715 0.897837 0.847179
O 0.491348 -1.153511 -2.225076
O 0.711786 1.551354 1.792872
O 3.803408 -1.811827 0.964100
N 2.144290 -1.417435 -0.635980
N 2.274456 -0.072764 1.298755
C 0.594359 0.561077 -0.461542
C -0.958798 0.649493 -0.456090
C -1.638136 -0.509226 0.304115
C -3.186392 -0.445827 0.289043
C 1.219040 1.727996 -1.348253
C 1.035419 -0.733546 -1.170959
C 1.153516 0.719447 0.960244
C -3.768938 -1.536081 1.216148
C -3.772710 -0.565711 -1.136737
C 0.806754 3.157005 -0.944568
C 2.816266 -1.143275 0.568998
H -1.263487 1.597595 0.014105
H -1.281458 0.660033 -1.512311
H -1.338063 -1.484936 -0.125860
H -1.316786 -0.487161 1.363950
H 0.900692 1.521301 -2.387795
H 2.323774 1.637317 -1.323869
H -4.875152 -1.491512 1.234180
H -3.400583 -1.394503 2.247526
H -3.480879 -2.547857 0.875881
H -3.462942 0.287663 -1.763162
H -4.879179 -0.577416 -1.102067
H -3.439143 -1.497369 -1.629067
H -0.270852 3.330717 -1.103310
H 1.029568 3.368700 0.114680
H 1.359543 3.884050 -1.567329
H 2.490286 -2.226863 -1.161926
H 2.706291 0.105685 2.211637
H -4.494381 0.983850 0.910390


