%chk=000041224.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041224

0 1
 O   -4.327600     -0.3390000      0.3416000    
 O   -3.058900      0.9162000      -1.063200    
 O    2.660800      -1.751900     -0.9205000    
 N    1.810800     -9.7700000E-02  7.4000001E-02
 N    2.780700     -0.9937000      4.9199998E-02
 C   0.5803000     -0.5556000      0.7101000    
 C  -0.6366000     -4.8000002E-03 -3.4400001E-02
 C   -1.954400     -0.4565000      0.5879000    
 C    2.254100       1.159600      0.6924000    
 C    3.035700       2.010800     -0.2938000    
 C   -3.144900      0.1126000     -0.1433000    
 H   0.5426000     -0.2970000       1.777400    
 H   0.5026000      -1.652500      0.6727000    
 H  -0.6025000     -0.3261000      -1.084100    
 H  -0.6041000       1.092200     -4.6500001E-02
 H   -2.008000     -0.1266000       1.631100    
 H   -2.023600      -1.549300      0.5551000    
 H    1.390900       1.765800      0.9985000    
 H    2.842100      0.9875000       1.604600    
 H    3.964000       1.521300     -0.6062000    
 H    2.442100       2.225400      -1.189000    
 H    3.303900       2.967800      0.1661000    
 H   -5.091600      4.8900001E-02 -0.1362000    


%chk=000041224-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041224

0 1
O -4.212158 -0.409798 -0.099119
O -2.847520 0.815536 -1.522795
O 1.848998 -2.294048 -0.400159
N 1.997304 -0.223138 0.461992
N 2.605250 -1.262858 -0.223694
C 0.612938 -0.339094 0.967866
C -0.460124 -0.062064 -0.113013
C -1.869714 -0.336878 0.444585
C 2.844310 0.961510 0.699149
C 2.332920 2.237134 -0.001299
C -2.968029 0.095081 -0.508666
H 0.505177 0.360635 1.817006
H 0.493049 -1.375751 1.339812
H -0.271436 -0.712954 -0.984219
H -0.395658 0.981731 -0.466719
H -2.034897 0.206418 1.398174
H -2.011757 -1.408202 0.678111
H 2.923405 1.133865 1.791138
H 3.846392 0.688969 0.324932
H 2.255733 2.082903 -1.091325
H 1.342858 2.547443 0.377938
H 3.038014 3.067559 0.183395
H -4.916653 -0.096598 -0.729590


