%chk=000044144.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044144

0 1
 O    1.278700      0.9806000     -0.2708000    
 O   -3.242400     -0.5430000     -0.2452000    
 O  -0.8962000      0.2262000      0.4470000    
 O   -2.359100      -2.468600      -1.173200    
 N    3.609900      -1.502000      0.4176000    
 N    3.319200     -0.1355000      0.2402000    
 N   0.1376000      -1.675500     -0.4475000    
 C    2.447600      -2.216300      0.1235000    
 C    1.424100      -1.395600     -0.1432000    
 C    1.953900     -1.0500000E-02 -4.6100002E-02
 C    4.315500      0.8551000      5.4000001E-02
 C    4.463700      -1.890300       1.536100    
 C    2.422400      -3.706900      0.1750000    
 C    3.987700       2.211000      0.1527000    
 C    5.633900      0.4842000     -0.2293000    
 C    4.968200       3.186200     -3.0200001E-02
 C    6.614200       1.459600     -0.4121000    
 C  -0.9307000     -0.8484000     -0.1333000    
 C    6.281400       2.810500     -0.3125000    
 C   -2.264500      -1.404700     -0.5913000    
 C   -4.566600     -0.9394000     -0.6150000    
 C   -5.536600      0.1136000     -0.1654000    
 C   -6.106800      2.8899999E-02   1.099900    
 C   -5.856000       1.164600      -1.017800    
 C   -7.008300       1.007700       1.518100    
 C   -6.757400       2.143500     -0.5995000    
 C   -7.333500       2.064900      0.6685000    
 H    3.866600      -2.007600       2.448000    
 H    5.248400      -1.164200       1.761600    
 H    4.953500      -2.845800       1.320400    
 H    3.194800      -4.121300     -0.4813000    
 H    1.461300      -4.117100     -0.1490000    
 H    2.606600      -4.062600       1.193700    
 H  -7.5000003E-02  -2.621900     -0.7520000    
 H    2.984600       2.543700      0.3989000    
 H    5.927200     -0.5543000     -0.3533000    
 H    4.710900       4.238100      5.3300001E-02
 H    7.635200       1.167900     -0.6403000    
 H    7.044700       3.569800     -0.4555000    
 H   -4.809200      -1.902500     -0.1485000    
 H   -4.624500      -1.068700      -1.703200    
 H   -5.858800     -0.7891000       1.770700    
 H   -5.411400       1.236700      -2.006600    
 H   -7.456400      0.9471000       2.505500    
 H   -7.010300       2.967200      -1.260700    
 H   -8.035200       2.827300      0.9942000    


%chk=000044144-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044144

0 1
O 2.353632 1.243174 -1.756448
O -3.437016 -0.107406 -0.230912
O -1.271971 -0.846579 1.279574
O -2.033566 0.988396 -1.735551
N 3.431698 -0.402663 1.207712
N 3.711981 0.336698 0.014172
N 0.132251 0.288374 -0.250733
C 2.022394 -0.474828 1.352882
C 1.437160 0.120264 0.236707
C 2.490353 0.659370 -0.637259
C 5.005864 0.300276 -0.592848
C 4.290792 -0.094286 2.376930
C 1.458699 -1.092146 2.600094
C 5.395153 1.374309 -1.432204
C 5.875514 -0.801121 -0.384554
C 6.661674 1.341341 -2.052312
C 7.147055 -0.808688 -0.996437
C -1.077066 -0.155761 0.236706
C 7.547174 0.260547 -1.830991
C -2.214512 0.310957 -0.690962
C -4.613830 0.289795 -1.051016
C -5.870441 -0.212772 -0.367289
C -7.116718 0.004217 -1.008395
C -5.836337 -0.878725 0.880776
C -8.315544 -0.437422 -0.408502
C -7.039470 -1.320663 1.479033
C -8.280641 -1.102405 0.839897
H 4.107002 0.928728 2.760238
H 5.349256 -0.186590 2.091839
H 4.075741 -0.827518 3.168356
H 1.946365 -2.060668 2.815296
H 0.378093 -1.251646 2.470136
H 1.605241 -0.435331 3.479692
H 0.095767 0.815581 -1.142056
H 4.703148 2.201451 -1.606644
H 5.540659 -1.652122 0.217825
H 6.958155 2.167853 -2.707045
H 7.816977 -1.660293 -0.834568
H 8.532008 0.247249 -2.309752
H -4.489907 -0.140679 -2.062869
H -4.606778 1.391841 -1.153251
H -7.153081 0.518381 -1.977716
H -4.873094 -1.048503 1.369885
H -9.272668 -0.264448 -0.913090
H -7.003887 -1.836551 2.445144
H -9.210378 -1.446388 1.306612


