%chk=000014173.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014173

0 1
 O   -3.663100       1.254400     -0.1751000    
 O    3.667800       1.270700     -0.1247000    
 N   -8.246800      -1.824000      0.4876000    
 N    8.243400      -1.838300      0.4448000    
 C  -2.7000001E-03  0.6112000     -0.7288000    
 C   -1.268700       1.274600     -0.1898000    
 C    1.256300       1.266300     -0.1532000    
 C   -2.525900      0.6026000     -0.7233000    
 C    2.533100      0.6419000     -0.7027000    
 C   -4.792400      0.4949000     -1.1200000E-02
 C    4.796400      0.5047000      1.5100000E-02
 C   -5.038600     -0.5667000     -0.8742000    
 C    5.045900     -0.5228000     -0.8871000    
 C   -5.680200      0.7955000       1.015200    
 C    5.677700      0.7633000       1.058200    
 C   -6.188600      -1.338400     -0.7085000    
 C    6.193100      -1.303100     -0.7438000    
 C   -6.830100      2.3600001E-02   1.181000    
 C    6.825000     -1.6899999E-02   1.201300    
 C   -7.084300      -1.043300      0.3191000    
 C    7.082700      -1.050200      0.3003000    
 H  -6.8000001E-03 -0.4557000     -0.4746000    
 H   1.2500000E-02  0.6837000      -1.823000    
 H   -1.283000       2.339000     -0.4557000    
 H   -1.277200       1.239500      0.9069000    
 H    1.256000       1.186100      0.9412000    
 H    1.258000       2.341100     -0.3741000    
 H   -2.487300     -0.4560000     -0.4347000    
 H   -2.558400      0.6813000      -1.816300    
 H    2.501100     -0.4298000     -0.4658000    
 H    2.570500      0.7693000      -1.791000    
 H   -4.382100     -0.8118000      -1.703400    
 H    4.394800     -0.7337000      -1.729800    
 H   -5.485700       1.625600       1.688300    
 H    5.480100       1.566700       1.762200    
 H   -6.379100      -2.163500      -1.390100    
 H    6.386700      -2.101400      -1.456000    
 H   -7.520500      0.2636000       1.985700    
 H    7.510600      0.1902000       2.019100    
 H   -8.432500      -2.596900     -0.1376000    
 H   -8.897200      -1.609500       1.231700    
 H    8.430200      -2.588600     -0.2071000    
 H    8.887900      -1.656100       1.202600    


%chk=000014173-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000014173

0 1
O -3.696090 0.720221 0.574051
O 3.695853 0.717539 0.573010
N -9.013326 -0.787134 -0.682822
N 9.011655 -0.788955 -0.690968
C -0.000472 -0.026912 0.024092
C -1.283430 0.653789 0.552454
C 1.283108 0.652917 0.552075
C -2.552792 -0.018532 0.022833
C 2.551820 -0.018868 0.020212
C -4.988309 0.278560 0.210207
C 4.987652 0.276273 0.207163
C -5.260868 -0.819896 -0.639713
C 5.259201 -0.819914 -0.646008
C -6.065783 1.016521 0.757155
C 6.065789 1.012147 0.755610
C -6.597413 -1.171902 -0.934865
C 6.595413 -1.171766 -0.942861
C -7.394634 0.665619 0.462497
C 7.394305 0.661393 0.459273
C -7.686829 -0.439173 -0.391534
C 7.685484 -0.441135 -0.398026
H -0.000753 -1.097902 0.317338
H -0.000669 -0.004922 -1.086127
H -1.295190 1.720204 0.256560
H -1.299155 0.627289 1.658764
H 1.299983 0.624813 1.658326
H 1.294672 1.719750 0.257697
H -2.600448 -1.082124 0.343130
H -2.582236 0.013638 -1.088140
H 2.598777 -1.083367 0.337603
H 2.580868 0.016291 -1.090680
H -4.451017 -1.410099 -1.079398
H 4.448820 -1.408465 -1.086918
H -5.840957 1.864036 1.412546
H 5.841732 1.857927 1.413500
H -6.793412 -2.026107 -1.594925
H 6.790635 -2.024201 -1.605434
H -8.215926 1.249765 0.895908
H 8.216130 1.243892 0.893887
H -9.224345 -1.572399 -1.290114
H -9.786691 -0.259967 -0.290410
H 9.221964 -1.572537 -1.300677
H 9.785484 -0.263207 -0.297571


