%chk=000059919.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059919

0 1
 O   0.5326000       1.160900       1.919300    
 O   -4.167400      -1.398500      0.8554000    
 N    1.628000       2.132600      0.1077000    
 N   -3.208200      0.4361000     -0.1995000    
 N   -6.612800     -0.7193000     -0.2065000    
 C   0.5228000     -7.2400004E-02 -6.5600000E-02
 C  -0.9400000     -0.3925000     -0.1665000    
 C  -0.2128000      0.1760000      -1.349700    
 C   -1.960800      0.4420000      0.5175000    
 C    1.516900      -1.179700     -3.5599999E-02
 C   0.8936000       1.127300      0.7458000    
 C    2.116600      -1.610900      -1.219000    
 C    1.850700      -1.784900       1.176100    
 C    1.518500       3.534500      0.4879000    
 C    2.555000       1.845900     -0.9832000    
 C    3.050100      -2.647000      -1.190500    
 C    2.784300      -2.820900       1.204400    
 C   -4.220000     -0.4908000      2.8300000E-02
 C    3.383800      -3.252000      2.1199999E-02
 C   0.4485000       4.220900     -0.2910000    
 C    3.926100       1.571500     -0.4659000    
 C   -5.405500     -0.2787000     -0.8907000    
 H   -1.230300      -1.437100     -0.2094000    
 H  -0.1451000     -0.4835000      -2.206700    
 H  -0.4367000       1.197800      -1.641000    
 H   -1.673600       1.495300      0.5930000    
 H   -2.128300      6.3400000E-02   1.531600    
 H   -3.330200       1.130300     -0.9311000    
 H    1.898900      -1.163400      -2.183100    
 H    1.387800      -1.466800       2.106300    
 H    1.268100       3.583500       1.553500    
 H    2.487000       4.029000      0.3584000    
 H    2.215300       1.017100      -1.596600    
 H    2.578200       2.711600      -1.655800    
 H    3.519700      -2.981100      -2.111100    
 H    3.043200      -3.293000       2.147600    
 H    4.111000      -4.058400      4.3400001E-02
 H   0.3606000       5.268200      1.5000000E-02
 H  -0.5261000       3.744600     -0.1385000    
 H   0.6558000       4.202600      -1.366000    
 H    4.331200       2.431000      7.8599997E-02
 H    3.938500      0.7185000      0.2201000    
 H    4.611100       1.348500      -1.290300    
 H   -5.503900      0.7794000      -1.152000    
 H   -5.247000     -0.8549000      -1.807500    
 H   -6.557400      -1.721100     -2.5400000E-02
 H   -7.414800     -0.5895000     -0.8222000    


%chk=000059919-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059919

0 1
O 0.152189 1.552578 1.612088
O -4.499112 -1.078192 1.117956
N 1.740724 2.197548 0.049554
N -3.452973 0.186305 -0.540950
N -6.873912 -1.121620 -0.252936
C 0.446064 0.085150 -0.329269
C -1.038751 -0.328892 -0.464288
C -0.294989 0.262697 -1.671018
C -2.195786 0.414727 0.198327
C 1.452010 -1.034014 -0.137595
C 0.757704 1.330959 0.509654
C 2.043120 -1.730458 -1.221153
C 1.801515 -1.413409 1.187362
C 2.025398 3.407648 0.864325
C 2.554002 2.003107 -1.172344
C 2.958024 -2.783968 -0.990458
C 2.717416 -2.461083 1.418303
C -4.498921 -0.565720 -0.043350
C 3.299948 -3.153435 0.329665
C 1.095775 4.585571 0.502795
C 3.986522 1.501465 -0.880512
C -5.680098 -0.766050 -1.017295
H -1.188694 -1.415078 -0.494981
H -0.052512 -0.391591 -2.513901
H -0.546518 1.290388 -1.959540
H -1.988609 1.496568 0.264684
H -2.354564 0.049246 1.225684
H -3.535805 0.575701 -1.482338
H 1.799263 -1.450159 -2.252447
H 1.344698 -0.882440 2.030840
H 1.887216 3.141399 1.925828
H 3.083742 3.683789 0.707339
H 2.036758 1.289934 -1.831967
H 2.599324 2.971609 -1.709829
H 3.404655 -3.312153 -1.840675
H 2.973089 -2.742117 2.446171
H 4.008544 -3.969649 0.509134
H 1.355723 5.477367 1.102170
H 0.047157 4.320237 0.719978
H 1.180233 4.855766 -0.566093
H 4.533711 2.197973 -0.219902
H 3.961654 0.510435 -0.397418
H 4.555480 1.414083 -1.824643
H -5.827332 0.168163 -1.601332
H -5.361400 -1.551363 -1.746660
H -6.639117 -1.447790 0.691804
H -7.559561 -1.699133 -0.740069


