%chk=000063279.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063279

0 1
 O    1.889500      -2.203500     -0.3254000    
 O   -1.185600       2.213900     -0.8585000    
 O    3.755400      -2.963800      0.8048000    
 N   0.1321000      0.4622000      4.1000000E-03
 N  -0.9435000      -1.527000      0.7433000    
 N   -5.962900      0.5433000     -0.6782000    
 C    1.334900       1.241200     -0.1063000    
 C   0.1313000     -0.8320000      0.5300000    
 C   -2.296500      0.2811000     -0.1913000    
 C   -1.070200       1.078400     -0.4033000    
 C   -2.182300     -0.9788000      0.3963000    
 C    1.760900       2.036200      0.9514000    
 C    1.440200      -1.532500      0.8326000    
 C   -3.550000      0.7914000     -0.5497000    
 C    2.063600       1.184400      -1.289000    
 C   -3.342400      -1.728500      0.6229000    
 C   -4.697600      3.4200002E-02 -0.3191000    
 C    2.931000       2.784700      0.8250000    
 C   -4.594700      -1.224700      0.2679000    
 C   0.9919000       2.111000       2.230600    
 C    3.233800       1.933000      -1.415400    
 C    3.667500       2.733200     -0.3585000    
 C    3.071800      -2.889200     -0.2072000    
 C    3.421800      -3.548200      -1.506900    
 H    1.265500      -2.264600       1.630800    
 H    2.199300     -0.8260000       1.178300    
 H   -3.639600       1.774800      -1.004800    
 H    1.734700      0.5632000      -2.117800    
 H   -3.276400      -2.715000       1.075800    
 H    3.283600       3.413300       1.638400    
 H   -5.481300      -1.825600      0.4532000    
 H    1.467600       2.784800       2.951800    
 H  -1.8800000E-02   2.491600       2.051300    
 H   0.9300000       1.125000       2.702100    
 H    3.807500       1.892300      -2.336700    
 H    4.578800       3.315800     -0.4571000    
 H   -6.038400       1.456000      -1.107100    
 H   -6.795200     -7.1999999E-03 -0.5137000    
 H    3.539100      -2.790200      -2.285500    
 H    2.642600      -4.264000      -1.780300    
 H    4.367900      -4.086000      -1.398300    


%chk=000063279-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063279

0 1
O 1.966349 -2.142753 -0.358433
O -1.095453 2.259514 -0.639349
O 3.826266 -2.776349 0.896270
N 0.062732 0.340464 0.077423
N -1.081056 -1.686037 0.726543
N -6.056897 0.678881 -0.555252
C 1.327142 1.053145 -0.093859
C 0.034313 -0.992888 0.556614
C -2.378488 0.268798 -0.084084
C -1.139354 1.055726 -0.249016
C -2.301225 -1.074689 0.405675
C 1.742484 1.994087 0.887045
C 1.334246 -1.661210 0.915170
C -3.621615 0.856990 -0.401839
C 2.091795 0.804849 -1.252817
C -3.511601 -1.806403 0.566824
C -4.821124 0.119337 -0.243511
C 2.974247 2.661317 0.670764
C -4.743692 -1.227292 0.249790
C 0.890468 2.296567 2.102875
C 3.311618 1.486616 -1.450000
C 3.754626 2.414907 -0.480982
C 3.253570 -2.679869 -0.211578
C 3.819744 -3.078587 -1.557094
H 1.117844 -2.534279 1.548925
H 2.048069 -0.992889 1.426396
H -3.626630 1.888987 -0.770397
H 1.723939 0.082139 -1.986922
H -3.446477 -2.832391 0.941649
H 3.318396 3.388736 1.415276
H -5.667295 -1.805174 0.377071
H 1.437144 2.928247 2.822671
H -0.027034 2.834413 1.799110
H 0.570178 1.376839 2.626699
H 3.904122 1.300832 -2.352193
H 4.700754 2.948986 -0.622583
H -6.122674 1.629913 -0.906472
H -6.915177 0.147529 -0.442503
H 4.330041 -2.207203 -2.007634
H 3.021290 -3.401032 -2.242860
H 4.561317 -3.880575 -1.422914


