%chk=000125081.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125081

0 1
 O   0.1485000       1.381100      -1.605300    
 O  -0.9630000     -0.4536000       1.350100    
 O   -2.771600       1.580400      0.3813000    
 O    2.566100       2.791400      0.3653000    
 O   -4.389500     -0.5153000      0.7468000    
 O    3.450700      -1.315600       1.194600    
 N    1.952500     -0.5965000     -0.4366000    
 N   -3.300300      -1.808700     -0.8059000    
 C   0.1107000       1.046700     -0.2092000    
 C  -0.9979000     -1.1100000E-02 -1.2500000E-02
 C    1.520200      0.6156000      0.2092000    
 C   -2.436400      0.4131000     -0.3512000    
 C    2.561600       1.664900     -0.1247000    
 C   -3.474300     -0.6645000     -5.9500001E-02
 C    2.885500      -1.463000      0.1141000    
 C    3.137200      -2.664800     -0.7565000    
 H  -0.1560000       1.957700      0.3407000    
 H  -0.7603000     -0.8839000     -0.6331000    
 H    1.567200      0.4613000       1.293500    
 H   -2.508500      0.6682000      -1.414400    
 H    1.596000     -0.7919000      -1.368100    
 H    3.326200       1.389400     -0.8724000    
 H   0.6595000       2.202500      -1.700700    
 H  -0.1549000     -0.9805000       1.469200    
 H   -2.631100       1.390000       1.324600    
 H   -2.560500      -1.906300      -1.493600    
 H   -3.931000      -2.596900     -0.7040000    
 H    3.960300      -3.254300     -0.3435000    
 H    2.236700      -3.283800     -0.7956000    
 H    3.405400      -2.345900      -1.767700    


%chk=000125081-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125081

0 1
O 0.204964 1.207205 -1.829162
O -0.674534 -0.540687 1.345704
O -2.503933 1.585975 0.491610
O 2.176653 3.054374 -0.575836
O -4.016715 -0.497046 1.165867
O 1.726743 -1.916203 1.122666
N 2.278412 -0.381745 -0.533128
N -3.311835 -1.850838 -0.586939
C 0.192158 1.037270 -0.364158
C -0.785536 -0.116692 -0.040532
C 1.625441 0.761084 0.136023
C -2.240308 0.377018 -0.265074
C 2.541808 1.975101 -0.051201
C -3.264410 -0.700107 0.166960
C 2.279678 -1.658409 0.002231
C 2.968662 -2.730029 -0.829225
H -0.184564 1.950021 0.138143
H -0.577329 -0.951742 -0.749700
H 1.588923 0.523575 1.219267
H -2.357464 0.621710 -1.337641
H 2.535607 -0.257695 -1.515658
H 3.593450 1.824064 0.297389
H 0.413082 2.159768 -2.011017
H 0.133493 -1.129281 1.455529
H -3.034053 1.297128 1.289932
H -2.702137 -1.997337 -1.389264
H -3.954500 -2.592338 -0.309251
H 3.195086 -3.589847 -0.181809
H 2.299704 -3.076813 -1.638624
H 3.902455 -2.361784 -1.288202


