%chk=000072108.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072108

0 1
 O   -3.137800       1.928100      -1.987500    
 O    2.454400      -2.525000      -1.959500    
 N   -1.853300      -3.136800     -0.3933000    
 N   0.3136000      -2.822000      -1.150000    
 N   -3.442500       1.386000       1.611800    
 N  -0.2181000      -2.455600       1.111800    
 N    4.366200       1.517100      -1.054200    
 C   -4.023400      -1.108400     -0.4366000    
 C   -3.452700      -1.754000      0.8327000    
 C   -4.616400      0.2830000     -0.1849000    
 C   -2.915800      -3.161400      0.5831000    
 C   -3.605500       1.301600      0.2787000    
 C  -0.5866000      -2.794100     -9.2500001E-02
 C    2.056400      -2.118600      0.3488000    
 C    3.482200      -1.751800      0.5989000    
 C   -2.929900       2.060400     -0.6526000    
 C    1.653500      -2.502200      -1.030400    
 C    3.743800     -0.2813000      0.4118000    
 C    1.101000      -2.127200       1.290200    
 C   -2.007700       2.985600     -0.1761000    
 C    3.614500      0.5920000       1.474200    
 C   -2.538000       2.296100       2.037500    
 C   -1.802100       3.111900       1.193300    
 C    4.115700      0.2095000     -0.8191000    
 C    3.863800       1.944900       1.271600    
 C    4.233400       2.352900      9.9999997E-05
 C   -2.376900       2.771400      -2.853600    
 C    4.508200       3.797900     -0.2540000    
 H   -3.244300      -1.032200      -1.204600    
 H   -4.811400      -1.753700     -0.8438000    
 H   -2.650300      -1.132800       1.243800    
 H   -4.238000      -1.808300       1.596200    
 H   -5.407800      0.2048000      0.5723000    
 H   -5.120000      0.6357000      -1.093300    
 H   -2.576100      -3.612500       1.522600    
 H   -3.724300      -3.799400      0.2078000    
 H   -2.097000      -3.379600      -1.349200    
 H    3.767800      -2.038600       1.620700    
 H    4.155400      -2.337300     -4.0800001E-02
 H  -3.0800000E-02  -3.093200      -2.066200    
 H    1.355200      -1.853300       2.310100    
 H   -1.418100       3.635700     -0.8132000    
 H    3.322800      0.2424000       2.460200    
 H   -2.414100       2.354900       3.113800    
 H   -1.087900       3.825400       1.588300    
 H    4.236800     -0.4351000      -1.682900    
 H    3.768400       2.649600       2.090700    
 H   -2.611400       3.829000      -2.692000    
 H   -1.304000       2.567200      -2.771500    
 H   -2.671800       2.530300      -3.880100    
 H    5.332300       4.145300      0.3772000    
 H    3.617300       4.397600     -4.2199999E-02
 H    4.788500       3.967200      -1.298900    


%chk=000072108-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072108

0 1
O -1.970815 1.041458 -1.894863
O 2.021400 -2.189100 -2.277645
N -2.194908 -3.207319 -0.463774
N -0.022747 -2.763789 -1.307597
N -2.983571 1.879176 1.536993
N -0.472484 -2.603828 1.034776
N 2.866088 2.120150 -0.898868
C -4.072890 -0.821273 -0.442347
C -3.633483 -1.582040 0.827605
C -4.256869 0.707810 -0.217396
C -3.251564 -3.060159 0.564499
C -2.995049 1.406256 0.256733
C -0.888846 -2.854894 -0.219419
C 1.763907 -2.029969 0.151729
C 3.172430 -1.497967 0.367036
C -1.851382 1.556289 -0.593559
C 1.334041 -2.312160 -1.211935
C 3.225166 0.029320 0.347919
C 0.844563 -2.211623 1.184327
C -0.689778 2.195297 -0.101211
C 3.559863 0.787870 1.496366
C -1.859367 2.498116 2.009811
C -0.698942 2.671964 1.230047
C 2.902044 0.756550 -0.826912
C 3.548960 2.197658 1.434083
C 3.186534 2.842893 0.223147
C -0.818991 1.212330 -2.795508
C 3.137290 4.353612 0.107478
H -3.318965 -0.953119 -1.241162
H -5.028717 -1.237715 -0.822485
H -2.764637 -1.079896 1.289629
H -4.443742 -1.562010 1.583348
H -5.032982 0.889977 0.547135
H -4.593449 1.158743 -1.170893
H -2.883846 -3.519808 1.497398
H -4.125547 -3.638778 0.211304
H -2.494222 -3.314837 -1.433041
H 3.568159 -1.866141 1.331872
H 3.816467 -1.900195 -0.437206
H -0.333032 -2.974563 -2.262561
H 1.143455 -2.017987 2.221636
H 0.205395 2.319060 -0.718347
H 3.825524 0.279151 2.431106
H -1.909538 2.856323 3.043896
H 0.186789 3.162331 1.647285
H 2.668612 0.217887 -1.753432
H 3.814563 2.797999 2.311286
H -0.575831 2.282183 -2.936184
H 0.072320 0.680363 -2.413125
H -1.137048 0.773482 -3.752577
H 4.120618 4.806518 0.333679
H 2.406507 4.793274 0.812805
H 2.849747 4.634230 -0.917680


