%chk=000030821.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030821

0 1
 O   0.2443000       2.561000     -1.9900000E-02
 O    2.403500       1.247700     -0.5011000    
 N   -4.739400       1.024100      0.5396000    
 N   -1.206700      0.6770000      6.2399998E-02
 C   -2.450500       1.366700      0.2693000    
 C   -3.157700       1.725300      -1.039800    
 C   -3.459600      0.5215000       1.040200    
 C   -4.558000       1.137900     -0.9079000    
 C   -5.852900      0.1556000      0.8923000    
 C   -1.229200     -0.7845000     -2.1100000E-02
 C   4.9199998E-02   1.342800     -6.5899998E-02
 C    1.248300      0.4527000     -0.3381000    
 C   -1.079200      -1.482600       1.138500    
 C   -1.397700      -1.341400      -1.252200    
 C   -1.100000      -2.875000       1.058900    
 C   -1.418500      -2.733900      -1.331700    
 C   -1.269700      -3.500800     -0.1760000    
 C    3.612600      0.6678000     -0.1972000    
 C    3.775000     -0.7008000     -0.3619000    
 C    4.652300       1.459700      0.2701000    
 C    5.001600      -1.289000     -5.3599998E-02
 C    5.878900      0.8713000      0.5784000    
 C    6.053600     -0.5030000      0.4166000    
 H   -2.241900       2.296300      0.8153000    
 H   -2.651600       1.355900      -1.936900    
 H   -3.218500       2.817200      -1.128500    
 H   -3.431000     -0.5526000      0.8488000    
 H   -3.361200      0.6764000       2.120400    
 H   -5.311400       1.784900      -1.367900    
 H   -4.592700      0.1571000      -1.399600    
 H   -6.792600      0.5686000      0.5096000    
 H   -5.954100      8.8399999E-02   1.981100    
 H   -5.739300     -0.8595000      0.4948000    
 H    1.356600     -0.2179000      0.5222000    
 H    1.082600     -0.1062000      -1.263800    
 H  -0.9433000     -0.9962000       2.098600    
 H   -1.507500     -0.7488000      -2.153500    
 H  -0.9830000      -3.472000       1.958700    
 H   -1.549000      -3.221000      -2.293600    
 H   -1.285100      -4.584900     -0.2380000    
 H    2.989400      -1.342700     -0.7481000    
 H    4.519500       2.530200      0.3973000    
 H    5.139900      -2.358300     -0.1848000    
 H    6.698100       1.483400      0.9442000    
 H    7.009000     -0.9609000      0.6553000    


%chk=000030821-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030821

0 1
O -0.036474 2.461137 0.208218
O 2.363007 1.238656 0.333910
N -4.771199 1.364867 0.607604
N -1.229260 0.464172 -0.065555
C -2.524810 1.199171 -0.047471
C -3.391925 1.050667 -1.342199
C -3.494490 0.802840 1.094449
C -4.859829 0.993143 -0.830851
C -5.956532 1.035420 1.407557
C -1.207165 -0.971383 -0.262838
C -0.042068 1.209692 0.063932
C 1.247337 0.366562 0.006797
C -1.350557 -1.847540 0.843071
C -1.028033 -1.508747 -1.562548
C -1.319904 -3.246324 0.648180
C -0.997333 -2.908657 -1.754824
C -1.144906 -3.779898 -0.650610
C 3.649588 0.671721 0.282347
C 3.925844 -0.681231 -0.039606
C 4.705797 1.567605 0.583925
C 5.269913 -1.124837 -0.058227
C 6.036644 1.108853 0.561388
C 6.328841 -0.240645 0.239558
H -2.242378 2.255519 0.089043
H -3.137763 0.126673 -1.888915
H -3.216472 1.903534 -2.018296
H -3.537812 -0.310836 1.212849
H -3.206984 1.248211 2.063092
H -5.532050 1.689282 -1.363719
H -5.269956 -0.041055 -0.960296
H -6.841793 1.548822 0.990789
H -5.820159 1.387272 2.445742
H -6.178128 -0.062936 1.438001
H 1.185909 -0.479595 0.721251
H 1.369795 -0.060586 -1.010686
H -1.469614 -1.426256 1.847192
H -0.910835 -0.826279 -2.411986
H -1.428058 -3.917237 1.507352
H -0.858990 -3.316310 -2.762160
H -1.121171 -4.864854 -0.799818
H 3.122894 -1.387845 -0.270586
H 4.456617 2.604922 0.826984
H 5.482782 -2.170781 -0.307418
H 6.849380 1.805862 0.794323
H 7.365399 -0.593271 0.222560


