%chk=000060674.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060674

0 1
 O   -1.847300      -2.243800      0.2285000    
 O    2.026700      0.2326000      -2.172800    
 N    1.738100      1.7500000E-02  0.1420000    
 N   -2.466900       4.457500     -0.1135000    
 C  -0.5998000      -2.922700     -6.5000001E-03
 C   0.6299000      -2.050900      4.5200001E-02
 C   0.5851000     -0.7139000      9.3199998E-02
 C  -0.7356000     -7.2899997E-02  8.0700003E-02
 C   -1.880100     -0.8792000      0.1486000    
 C  -0.7002000      -3.590700      -1.382800    
 C  -0.4991000      -3.999200       1.081600    
 C  -0.9110000       1.319000      1.0100000E-02
 C   -3.159200     -0.3109000      0.1642000    
 C   -2.189400       1.884900      1.6700000E-02
 C   -3.313300       1.070400      9.6199997E-02
 C    2.395500      0.4510000      -1.019600    
 C    2.216200      0.3028000       1.411200    
 C    3.645900       1.241200     -0.8000000    
 C    3.338200       1.011600       1.587500    
 C    4.068800       1.491500      0.4446000    
 C   -2.342500       3.304100     -5.5100001E-02
 H    1.594500      -2.556100      2.8500000E-02
 H   0.1848000      -4.195000      -1.610700    
 H   -1.583700      -4.237300      -1.439300    
 H  -0.8167000      -2.840900      -2.174700    
 H  -0.4653000      -3.543800       2.078900    
 H   -1.381500      -4.649900       1.070100    
 H   0.3913000      -4.625800      0.9593000    
 H  -4.6399999E-02   1.977900     -4.9400002E-02
 H   -4.040700     -0.9442000      0.2263000    
 H   -4.314000       1.494800      0.1057000    
 H    1.652400     -6.6100001E-02   2.262800    
 H    4.186500       1.596800      -1.669200    
 H    3.713900       1.236200       2.578700    
 H    4.973400       2.063000      0.6195000    


%chk=000060674-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060674

0 1
O -1.780340 -2.307884 0.574001
O 2.645319 -1.032742 -1.698387
N 1.801788 0.002605 0.273194
N -2.479528 4.458333 -0.231996
C -0.572883 -3.006105 -0.036683
C 0.666891 -2.153647 0.160660
C 0.593197 -0.796408 0.218886
C -0.715433 -0.116981 0.195263
C -1.874838 -0.929554 0.408034
C -0.858699 -3.209245 -1.541610
C -0.493020 -4.335989 0.725742
C -0.888528 1.273765 0.018414
C -3.157577 -0.348183 0.513599
C -2.179238 1.861317 0.093664
C -3.312780 1.039952 0.358909
C 2.799616 -0.162581 -0.789084
C 1.977233 0.895347 1.326841
C 3.933485 0.745538 -0.676279
C 3.090376 1.712258 1.412775
C 4.081196 1.636510 0.375970
C -2.341733 3.278458 -0.086016
H 1.633268 -2.664251 0.173923
H -0.000993 -3.709232 -2.025166
H -1.760759 -3.831648 -1.676673
H -1.006702 -2.239836 -2.047582
H -0.304915 -4.163106 1.798602
H -1.442579 -4.886870 0.619563
H 0.322157 -4.958682 0.316628
H -0.021583 1.911252 -0.180261
H -4.015875 -0.999346 0.700872
H -4.305725 1.494342 0.427430
H 1.184943 0.902863 2.080136
H 4.676222 0.666379 -1.474893
H 3.194713 2.395893 2.257660
H 4.961825 2.286976 0.420364


