%chk=000168398.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168398

0 1
 O   -6.846900       1.482500      -1.185100    
 O    7.469300       1.630800     -0.1860000    
 O   -6.944300     -0.7361000      -1.636900    
 O    8.261500     -0.4227000      0.3535000    
 N  -0.1540000      0.3507000      0.6197000    
 N   -6.566100      -1.500000      0.8792000    
 N    6.135200      -1.734300     -0.5499000    
 C   -2.588400      0.4533000      0.8780000    
 C    2.290200      0.3329000      0.4268000    
 C   -3.926200     -8.8600002E-02  0.3682000    
 C    3.483500     -0.2594000     -0.3274000    
 C   -1.417800     -0.1692000      0.1171000    
 C   0.9714000     -0.2294000     -0.1036000    
 C   -5.144600      0.5177000       1.077500    
 C    4.841400      0.2483000      0.1760000    
 C   -6.496100     -5.8499999E-02  0.6362000    
 C    6.052200     -0.2741000     -0.6077000    
 C   -6.788700      0.1748000     -0.8316000    
 C    7.368300      0.2812000     -0.1040000    
 H   -2.569600       1.544200      0.7631000    
 H   -2.495600      0.2391000       1.950100    
 H    2.389400      0.1081000       1.496100    
 H    2.299800       1.425100      0.3233000    
 H   -3.929700      -1.177900      0.4942000    
 H   -4.001700      0.1054000     -0.7087000    
 H    3.388500     -2.1600001E-02  -1.394200    
 H    3.448500      -1.352200     -0.2415000    
 H   -1.450400      -1.259900      0.2295000    
 H   -1.520800      6.1900001E-02 -0.9500000    
 H   0.8879000      6.9999998E-04  -1.172700    
 H   0.9706000      -1.320800      6.8000001E-03
 H   -5.032900      0.3732000       2.160100    
 H   -5.141800       1.602300      0.9103000    
 H    4.838800       1.345400      0.1365000    
 H    4.951000     -9.9999998E-03   1.238000    
 H  -6.6799998E-02  0.1468000       1.614900    
 H   -7.299100      0.4212000       1.208200    
 H    5.961600      1.3200000E-02  -1.661700    
 H   -7.511200      -1.833400      0.6926000    
 H   -6.388000      -1.688800       1.864900    
 H    6.254700      -2.038800      0.4154000    
 H    6.954400      -2.057500      -1.062700    
 H   -7.028600       1.595500      -2.142500    
 H    8.329500       1.955300      0.1560000    


%chk=000168398-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168398

0 1
O -6.796756 1.607112 -0.974217
O 7.575921 1.595785 -0.749285
O -7.255465 -0.596891 -1.532733
O 8.180855 0.084572 0.909586
N -0.150679 0.230258 0.515661
N -6.660231 -1.488405 1.006261
N 6.225664 -1.793049 -0.151334
C -2.618904 0.375788 0.833194
C 2.336025 0.256195 0.357057
C -4.008970 -0.061862 0.322435
C 3.581633 -0.260059 -0.396308
C -1.464933 -0.199806 -0.010748
C 1.016759 -0.264201 -0.246491
C -5.158930 0.530746 1.159839
C 4.897225 0.289000 0.192976
C -6.563235 -0.044813 0.784328
C 6.151682 -0.360992 -0.465992
C -6.904052 0.245279 -0.675749
C 7.401763 0.414502 -0.012311
H -2.535655 1.480262 0.835779
H -2.499548 0.046717 1.888340
H 2.398995 -0.057256 1.421615
H 2.309908 1.363420 0.355534
H -4.095245 -1.165646 0.344223
H -4.121424 0.250561 -0.737026
H 3.512333 0.032333 -1.465197
H 3.618871 -1.365567 -0.368688
H -1.568842 -1.314937 -0.062403
H -1.551638 0.171289 -1.052121
H 0.920754 0.100924 -1.289153
H 1.055734 -1.383168 -0.305091
H -4.993552 0.299056 2.231017
H -5.186650 1.632476 1.058690
H 4.945951 1.386352 0.055975
H 4.932470 0.093259 1.284624
H -0.061426 0.000111 1.516852
H -7.312686 0.532350 1.377158
H 6.062748 -0.238003 -1.561024
H -7.073255 -2.021594 0.237922
H -6.932133 -1.782252 1.942968
H 6.431854 -1.966675 0.839780
H 6.863746 -2.319788 -0.756994
H -7.036055 1.751416 -1.929523
H 8.367774 2.091602 -0.403425


