%chk=000040592.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040592

0 1
 O    1.500000      -2.459500     -3.6400001E-02
 O  -0.1547000       1.533800      -1.870800    
 O    3.155800       1.604000       1.306000    
 N    2.256400     -0.4243000      0.7039000    
 N    1.429400       1.570600     -0.2119000    
 C   0.1807000     -0.5051000     -0.6016000    
 C  -0.9314000     -0.4774000      0.4621000    
 C   -2.203900      0.2344000     -3.3300001E-02
 C  -0.3147000      -1.276200      -1.833700    
 C   -1.273600      -1.907300      0.8883000    
 C    1.369300      -1.236800      1.3800000E-02
 C   0.4659000      0.9430000     -0.9873000    
 C   -3.300800      0.3325000       1.029600    
 C   -4.505300       1.105200      0.5134000    
 C    2.326800      0.9629000      0.6580000    
 H  -0.5723000      5.6200001E-02   1.353500    
 H   -2.630500     -0.2770000     -0.9026000    
 H   -1.976000       1.259500     -0.3396000    
 H   0.4806000      -1.291600      -2.591400    
 H  -0.5486000      -2.326000      -1.634400    
 H   -1.177000     -0.8159000      -2.324500    
 H   -1.960500      -1.891200       1.742100    
 H  -0.4213000      -2.478200       1.259500    
 H   -1.774500      -2.482100      0.1040000    
 H   -2.910500      0.8270000       1.926400    
 H   -3.649500     -0.6617000       1.325300    
 H    2.981300     -0.8948000       1.238500    
 H    1.544700       2.570500     -0.3524000    
 H   -4.227700       2.127700      0.2381000    
 H   -4.937700      0.6174000     -0.3661000    
 H   -5.279000       1.160800       1.285600    


%chk=000040592-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040592

0 1
O 1.608154 -2.487961 -0.325722
O -0.069327 1.688540 -1.811005
O 3.077760 1.473562 1.599036
N 2.213404 -0.523173 0.734696
N 1.404267 1.555723 -0.035083
C 0.170577 -0.513674 -0.707205
C -0.981530 -0.544673 0.428822
C -2.315543 0.061233 -0.092487
C -0.285554 -1.177714 -2.022448
C -1.200264 -1.969174 0.992250
C 1.379716 -1.268458 -0.129980
C 0.488003 0.974187 -0.939440
C -3.231963 0.564341 1.049451
C -4.574938 1.113021 0.520710
C 2.278038 0.878382 0.835376
H -0.616684 0.098084 1.258421
H -2.857377 -0.705750 -0.681297
H -2.121153 0.907365 -0.778751
H 0.542839 -1.205623 -2.750976
H -0.602588 -2.215689 -1.838781
H -1.111953 -0.606614 -2.471038
H -2.042717 -1.953683 1.706151
H -0.317120 -2.356646 1.527730
H -1.450347 -2.688262 0.192358
H -2.704708 1.359830 1.614772
H -3.430810 -0.252908 1.770887
H 2.935934 -1.038977 1.247606
H 1.521085 2.573328 -0.078598
H -4.413050 1.953945 -0.179226
H -5.138230 0.329801 -0.020547
H -5.212521 1.478036 1.346419


