%chk=000029705.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029705

0 1
 O    1.094400       1.311200     -0.5050000    
 O   0.2682000       2.716600       1.120300    
 O   -5.731500     -0.6678000      9.8600000E-02
 O   -4.560000      -2.438100     -0.4606000    
 N    4.143000     -0.3006000      0.1118000    
 N   -4.632900      -1.229900     -0.1295000    
 N    5.037200      -1.740800       1.692600    
 N    4.245000      -2.676200     -0.2290000    
 C    3.279100       1.333100      -1.486700    
 C    2.344200       1.988000     -0.4772000    
 C    3.514600     -0.1433000      -1.200600    
 C   -1.110200      0.9905000      0.2228000    
 C   0.1414000       1.779700      0.3473000    
 C   -2.317000       1.610300      0.4739000    
 C   -1.027500     -0.3380000     -0.1409000    
 C   -3.436100     -0.4757000     -9.8000001E-03
 C   -3.492800      0.8692000      0.3565000    
 C   -2.203300      -1.079300     -0.2584000    
 C    4.444200      -1.508800      0.4739000    
 H    2.845100       1.422200      -2.489800    
 H    4.234900       1.870100      -1.490400    
 H    2.768800       1.947300      0.5323000    
 H    2.194800       3.038400     -0.7531000    
 H    2.565000     -0.6899000      -1.242200    
 H    4.171500     -0.5412000      -1.983800    
 H   -2.373900       2.657500      0.7562000    
 H  -7.9700001E-02 -0.8345000     -0.3264000    
 H   -4.435200       1.372600      0.5570000    
 H   -2.120700      -2.125300     -0.5427000    
 H    5.248700     -0.9773000       2.325800    
 H    5.281500      -2.677800       1.993800    
 H    4.523000      -3.572200      0.1569000    
 H    3.816500      -2.688500      -1.147600    


%chk=000029705-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029705

0 1
O 1.027144 1.182760 -0.666027
O 0.295404 2.580752 1.052251
O -5.967142 -0.637090 0.611604
O -5.173232 -1.930340 -1.090972
N 4.223574 -0.338604 0.211656
N -5.033912 -1.006234 -0.200034
N 5.560117 -1.344777 1.860520
N 4.736341 -2.712125 0.138743
C 3.282996 1.062816 -1.571871
C 2.388944 1.813714 -0.590558
C 3.572090 -0.383336 -1.111437
C -1.233255 0.947363 0.082978
C 0.079020 1.659913 0.225715
C -2.288056 1.320013 0.955805
C -1.435481 -0.069611 -0.885928
C -3.715273 -0.326223 -0.101884
C -3.539572 0.683850 0.869936
C -2.682825 -0.714023 -0.984284
C 4.789277 -1.422562 0.690816
H 2.825257 1.062688 -2.579637
H 4.242575 1.610431 -1.633107
H 2.766073 1.705369 0.440374
H 2.276437 2.884134 -0.838238
H 2.604846 -0.935117 -1.071235
H 4.203061 -0.883546 -1.884662
H -2.102352 2.108672 1.691397
H -0.612769 -0.341264 -1.551736
H -4.370217 0.948385 1.528922
H -2.872029 -1.500229 -1.719380
H 5.656800 -0.406788 2.246325
H 5.559471 -2.126197 2.514789
H 5.456451 -3.397981 0.353311
H 4.120538 -2.893314 -0.648152


