%chk=000072251.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072251

0 1
 O    1.822900     -0.1413000      0.9507000    
 O    3.073300       2.343300      0.5873000    
 O   -1.297800      -2.707000      0.3636000    
 N  -0.3288000     -0.6258000      0.1664000    
 N   -2.693800     -0.9412000      8.8000000E-02
 N   -4.149100      0.8316000     -0.1917000    
 C    1.009900      -1.121900      0.2907000    
 C    1.660200      -1.406100      -1.049400    
 C    3.119300      -1.177000     -0.7426000    
 C    3.074800     -2.7500000E-02  0.2519000    
 C    3.131000       1.340400     -0.4148000    
 C  -0.4988000      0.7285000     -2.2000000E-03
 C   -1.432100      -1.491200      0.2143000    
 C   -1.703800       1.291600     -0.1277000    
 C   -2.864900      0.3468000     -7.2499998E-02
 C   -1.922500       2.756800     -0.3121000    
 H    1.020200      -2.024200      0.9140000    
 H    1.328400     -0.6992000      -1.819600    
 H    1.446900      -2.414500      -1.416200    
 H    3.528100      -2.069000     -0.2523000    
 H    3.726400     -0.9734000      -1.629100    
 H    3.878300     -0.1084000      0.9923000    
 H    2.307600       1.507300      -1.114300    
 H    4.070700       1.464300     -0.9621000    
 H   0.3775000       1.358000     -4.4199999E-02
 H    2.255000       2.207100       1.094300    
 H   -2.524300       3.162100      0.5076000    
 H   -2.438200       2.952900      -1.257700    
 H  -0.9775000       3.310400     -0.3315000    
 H   -4.352300       1.817000     -0.3174000    
 H   -4.943700      0.2022000     -0.1555000    


%chk=000072251-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072251

0 1
O 1.892052 -0.173626 0.977951
O 2.935469 2.360666 0.623997
O -1.218211 -2.718243 0.384588
N -0.350299 -0.548163 0.150150
N -2.740579 -0.933665 0.179791
N -4.217571 0.831141 -0.082568
C 1.008618 -1.123532 0.262430
C 1.697433 -1.407207 -1.094361
C 3.200505 -1.221572 -0.773492
C 3.205389 -0.068723 0.254825
C 3.277239 1.337683 -0.367094
C -0.553230 0.797332 -0.074801
C -1.473118 -1.485829 0.251328
C -1.821091 1.339826 -0.180772
C -2.913982 0.389182 -0.025672
C -2.056371 2.816721 -0.408137
H 0.892980 -2.043852 0.859184
H 1.355561 -0.675979 -1.849061
H 1.450675 -2.417087 -1.456791
H 3.613789 -2.138527 -0.318859
H 3.797893 -0.983596 -1.671033
H 3.980759 -0.175721 1.033158
H 2.598496 1.400431 -1.246852
H 4.305195 1.560947 -0.702660
H 0.344349 1.418693 -0.138115
H 2.240335 1.965086 1.216271
H -2.622203 3.277379 0.426218
H -2.621089 3.006882 -1.342543
H -1.099108 3.359593 -0.488659
H -4.452543 1.808442 -0.228103
H -4.954442 0.137919 0.037882


