%chk=000125720.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125720

0 1
 O   -3.873100     -0.8048000       2.275100    
 O   -5.191100      -1.692900      -2.025900    
 N   0.6113000       2.888500     -0.2744000    
 N   -3.578200      0.3706000      0.2573000    
 N    5.110400      -1.104100      1.0500000E-02
 N   -4.692300      -1.564200      0.2397000    
 C   0.7081000      0.3758000     -0.3721000    
 C    1.449400       1.713200      6.9200002E-02
 C   -1.484300       1.566400     -1.2400000E-02
 C  -0.6778000      0.2999000      0.2826000    
 C  -0.6986000       2.816900      0.3972000    
 C    2.902900       1.816100     -0.5350000    
 C    1.569700     -0.8451000     -9.5200002E-02
 C    2.957100     -0.6539000     -0.1082000    
 C    3.658400      0.5520000     -0.3054000    
 C   -2.835800       1.520400      0.6998000    
 C    1.250400       4.163300      6.5800004E-02
 C    3.861200      -1.680800      8.7300003E-02
 C    1.132900      -2.162200      9.8499998E-02
 C    4.998000      0.2501000     -0.2306000    
 C    3.436100      -2.990700      0.3038000    
 C    2.049000      -3.207200      0.3010000    
 C   -3.945900      0.1857000      -1.132900    
 C   -4.029700     -0.6820000       1.067600    
 C   -4.688300      -1.130900      -1.063300    
 H   0.5695000      0.4121000      -1.463000    
 H    1.569400       1.675100       1.164300    
 H   -1.646100       1.629000      -1.097000    
 H   -1.209800     -0.5784000     -9.8300003E-02
 H  -0.5719000      0.1623000       1.367200    
 H   -1.296300       3.695600      0.1217000    
 H  -0.5729000       2.844000       1.488500    
 H    3.454100       2.640700     -6.9499999E-02
 H    2.845700       2.008800      -1.613400    
 H   -3.430000       2.411200      0.4671000    
 H   -2.707800       1.476300       1.787100    
 H   0.5733000       5.002600     -0.1326000    
 H    2.129400       4.346800     -0.5596000    
 H    1.547600       4.206900       1.119600    
 H   7.3399998E-02  -2.402200      9.1799997E-02
 H    5.883200      0.8635000     -0.3221000    
 H    5.984900      -1.600300      0.1125000    
 H    4.135500      -3.804300      0.4576000    
 H    1.673200      -4.216600      0.4545000    
 H   -3.065300      7.9099998E-02  -1.768200    
 H   -4.606800      0.9922000      -1.456700    
 H   -5.126500      -2.424300      0.5543000    


%chk=000125720-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125720

0 1
O -3.901993 -0.797948 2.255763
O -5.716076 -1.610887 -2.029302
N 0.649084 2.857549 -0.218633
N -3.683430 0.357516 0.180793
N 5.270125 -1.081377 -0.012255
N -4.962653 -1.497029 0.223270
C 0.796055 0.363933 -0.350474
C 1.516379 1.684381 0.115490
C -1.449857 1.513178 -0.038812
C -0.614853 0.255781 0.268100
C -0.681327 2.762819 0.431776
C 2.932559 1.848263 -0.524895
C 1.662262 -0.867341 -0.074681
C 3.056569 -0.653229 -0.107399
C 3.741883 0.591903 -0.316009
C -2.844570 1.474279 0.630362
C 1.270388 4.169312 0.073727
C 4.012375 -1.693098 0.085172
C 1.235378 -2.187486 0.172712
C 5.103067 0.304731 -0.249109
C 3.584652 -3.020910 0.321128
C 2.188690 -3.238239 0.363350
C -4.197468 0.200787 -1.185498
C -4.137814 -0.643640 1.032550
C -5.064545 -1.073661 -1.103922
H 0.679332 0.465490 -1.452662
H 1.655834 1.610453 1.228494
H -1.568249 1.605397 -1.139120
H -1.129220 -0.644347 -0.118476
H -0.529917 0.125281 1.366667
H -1.252055 3.675604 0.172395
H -0.590895 2.733891 1.551526
H 3.450697 2.718682 -0.084721
H 2.792055 2.063840 -1.604554
H -3.377942 2.429360 0.438883
H -2.738578 1.360293 1.725282
H 0.540335 4.967000 -0.151417
H 2.150095 4.338304 -0.567344
H 1.586187 4.282585 1.141506
H 0.169545 -2.433853 0.226303
H 5.969865 0.956483 -0.344856
H 6.167720 -1.550107 0.084252
H 4.285264 -3.849495 0.470953
H 1.819414 -4.253243 0.550455
H -3.395944 0.058424 -1.934467
H -4.817471 1.060509 -1.505613
H -5.425354 -2.319936 0.609111


