%chk=000118396.chk
%nprocshared=8
%mem=28GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118396

0 1
 O    4.422200      -1.421400     -0.8461000    
 O    1.623200       1.853600       1.570700    
 O  -0.1631000     -0.9551000       1.689100    
 N    2.434700      0.4286000     -9.3300000E-02
 C    2.218300     -0.4763000      -1.228800    
 C    3.840600      0.6675000      0.2288000    
 C    3.045500      -1.744900      -1.057200    
 C    4.590500     -0.6512000      0.3469000    
 C    1.437200       1.096100      0.6196000    
 C   4.0300000E-02  0.8962000      0.2100000    
 C  -0.7302000     -0.1301000      0.7573000    
 C   -2.064500     -0.3142000      0.3600000    
 C   -2.625300      0.5548000     -0.6060000    
 C  -0.5111000       1.750800     -0.7400000    
 C   -1.835100       1.582500      -1.146300    
 C   -2.854700      -1.341900      0.9004000    
 C   -3.959700      0.3707000      -1.003200    
 C   -4.178800      -1.510200      0.4941000    
 C   -4.730100     -0.6555000     -0.4559000    
 H    2.547700      6.8499997E-02  -2.121400    
 H    1.164800     -0.7308000      -1.358600    
 H    3.941300       1.249800       1.149600    
 H    4.250600       1.262200     -0.5960000    
 H    2.682500      -2.345100     -0.2143000    
 H    2.979300      -2.360900      -1.959500    
 H    5.660800     -0.4652000      0.4793000    
 H    4.241700      -1.235000       1.207100    
 H   8.0100000E-02   2.553400      -1.173600    
 H   -2.245300       2.262100      -1.890300    
 H   -2.482400      -2.027200       1.656600    
 H   -4.411500       1.027000      -1.744200    
 H   -4.780900      -2.306300      0.9223000    
 H   -5.761200     -0.7866000     -0.7710000    
 H  -0.5370000      -1.847300       1.614100    


%chk=000118396-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000118396

0 1
O 4.429331 -1.712839 -0.328383
O 1.801357 2.302370 0.900193
O 0.167874 -1.223423 0.927930
N 2.505175 0.425274 -0.278160
C 2.320442 -0.720765 -1.191282
C 3.923518 0.693985 0.050371
C 3.002959 -1.970666 -0.598181
C 4.570379 -0.585974 0.613296
C 1.516589 1.257839 0.224249
C 0.065965 0.957802 -0.082949
C -0.600216 -0.210662 0.314821
C -2.018912 -0.382296 0.108543
C -2.765775 0.709397 -0.480914
C -0.704646 2.026024 -0.652191
C -2.076721 1.910546 -0.852367
C -2.714368 -1.588520 0.454424
C -4.178152 0.558162 -0.671336
C -4.092939 -1.705559 0.254992
C -4.833615 -0.620256 -0.307951
H 2.793931 -0.477476 -2.165226
H 1.249968 -0.908241 -1.359458
H 3.953399 1.521148 0.779005
H 4.458226 1.006665 -0.869069
H 2.482346 -2.259601 0.336847
H 2.988147 -2.807671 -1.315689
H 5.656097 -0.452551 0.749654
H 4.100543 -0.846707 1.585617
H -0.178323 2.953381 -0.898196
H -2.645976 2.739853 -1.285784
H -2.174536 -2.455359 0.858954
H -4.738921 1.390817 -1.111918
H -4.607754 -2.635089 0.519956
H -5.913652 -0.721505 -0.458367
H -0.411337 -1.849505 1.428767


