%chk=000033063.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033063

0 1
 O   -3.490400      -1.083400      0.5284000    
 O    2.430600      -3.132100     -0.5508000    
 N    4.260800      0.6713000     -5.4400001E-02
 N    3.363600     -0.1965000     -0.5496000    
 C    5.840900       2.427100     -0.2659000    
 C    5.035100       2.577100       1.016300    
 C    5.234200       1.230100     -0.9893000    
 C    3.771900       1.778300      0.7613000    
 C    2.989100      -1.064400      0.3232000    
 C    1.988600      -2.089800     -9.1100000E-02
 C   0.5430000      -1.823900      7.1999997E-02
 C   0.1372000     -0.6172000      0.6111000    
 C  -0.3668000      -2.789200     -0.3188000    
 C   -2.160200      -1.327400      0.3770000    
 C   -1.226200     -0.3666000      0.7651000    
 C   -1.730300      -2.538800     -0.1650000    
 C   -3.965500      0.1581000      0.1401000    
 C   -3.552200      0.6899000      -1.067800    
 C   -4.840700      0.8340000      0.9709000    
 C   -4.030300       1.940800      -1.458400    
 C   -5.318800       2.084800      0.5801000    
 C   -4.913500       2.638100     -0.6345000    
 H    5.753500       3.328300     -0.8831000    
 H    6.901600       2.273500     -4.1099999E-02
 H    5.594300       2.145600       1.855700    
 H    4.826300       3.624600       1.253100    
 H    4.746300       1.564300      -1.913200    
 H    5.998900      0.4931000      -1.254800    
 H    3.316100       1.445600       1.699200    
 H    3.039000       2.378400      0.2081000    
 H    3.334700      -1.133100       1.369800    
 H   0.8360000      0.1489000      0.9311000    
 H  -5.0600000E-02  -3.737800     -0.7428000    
 H   -1.531300      0.5757000       1.212800    
 H   -2.453300      -3.290800     -0.4692000    
 H   -2.884300      0.1567000      -1.737900    
 H   -5.156600      0.4046000       1.916800    
 H   -3.719200       2.369500      -2.406600    
 H   -6.006700       2.627900       1.221600    
 H   -5.286900       3.611400     -0.9393000    


%chk=000033063-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033063

0 1
O -3.593638 -0.810724 0.483930
O 2.312864 -3.233800 0.933061
N 4.175423 0.989203 0.302078
N 3.068294 0.235283 0.394465
C 5.461269 2.970930 0.441530
C 6.399844 1.795327 0.046194
C 4.054519 2.449041 0.075090
C 5.586508 0.524473 0.393263
C 3.169068 -1.078212 0.605379
C 2.022490 -1.999225 0.728310
C 0.578558 -1.587723 0.630718
C 0.123513 -0.258453 0.408770
C -0.392648 -2.619186 0.779994
C -2.194270 -1.014632 0.470961
C -1.253297 0.032549 0.329151
C -1.766839 -2.342875 0.702738
C -4.193599 0.261890 -0.225504
C -3.776789 0.646306 -1.521590
C -5.314587 0.861388 0.388705
C -4.492217 1.659607 -2.197407
C -6.022371 1.869868 -0.301445
C -5.612820 2.276934 -1.593167
H 5.524098 3.161066 1.528244
H 5.710899 3.906076 -0.086106
H 6.608532 1.824166 -1.038487
H 7.364767 1.826220 0.578464
H 3.249522 2.861078 0.706186
H 3.805648 2.656355 -0.985485
H 5.770819 -0.308067 -0.313687
H 5.798839 0.150625 1.416435
H 4.136098 -1.597000 0.711897
H 0.857840 0.543040 0.306319
H -0.030696 -3.637613 0.954235
H -1.590686 1.061998 0.173935
H -2.518924 -3.128950 0.818068
H -2.921509 0.155006 -1.995916
H -5.613867 0.528619 1.387035
H -4.176683 1.958223 -3.203294
H -6.892650 2.337682 0.171806
H -6.163421 3.060206 -2.124773


