%chk=000017053.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017053

0 1
 O    3.025900       2.741400      0.1251000    
 N   -3.304700     -0.3831000      2.4000000E-02
 N    2.059200      -2.654500      3.4299999E-02
 C   -4.192000     -0.2252000       1.176100    
 C   -3.339500      0.9083000     -0.6618000    
 C   -5.374000      0.5365000      0.5947000    
 C   -4.814600       1.278600     -0.6152000    
 C   -1.956100     -0.7709000      0.4103000    
 C   -1.067600     -0.9734000     -0.8195000    
 C   0.3232000      -1.397100     -0.4489000    
 C    1.407200     -0.5333000     -0.1956000    
 C    2.497200      -1.351500      0.1088000    
 C   0.7334000      -2.688100     -0.3060000    
 C    1.586100      0.8643000     -0.1908000    
 C    3.762300     -0.8398000      0.4190000    
 C    2.845800       1.390400      0.1178000    
 C    3.915700      0.5497000      0.4177000    
 C    1.892600       3.547400     -0.1901000    
 H   -3.724200      0.3690000       1.971500    
 H   -4.500200      -1.188200       1.595400    
 H   -2.997600      0.8521000      -1.699600    
 H   -2.748900       1.668700     -0.1347000    
 H   -5.807500       1.224600       1.327500    
 H   -6.162900     -0.1539000      0.2740000    
 H   -5.329600      0.9460000      -1.524100    
 H   -4.954300       2.360800     -0.5271000    
 H   -1.504500     -2.7300000E-02   1.081200    
 H   -2.000100      -1.713000      0.9724000    
 H  -0.9951000     -5.6699999E-02  -1.416100    
 H   -1.511700      -1.733200      -1.476700    
 H   0.2160000      -3.631500     -0.4111000    
 H    2.633800      -3.468000      0.2059000    
 H   0.7207000       1.470700     -0.4289000    
 H    4.595800      -1.493500      0.6526000    
 H    4.888600      0.9737000      0.6556000    
 H    2.215300       4.592500     -0.1377000    
 H    1.092300       3.424400      0.5476000    
 H    1.545400       3.372700      -1.214200    


%chk=000017053-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017053

0 1
O 3.083538 2.741158 0.228595
N -3.300472 -0.296520 0.056200
N 2.169685 -2.766193 -0.028800
C -4.175440 -0.079978 1.238143
C -3.475348 0.923078 -0.776858
C -5.474287 0.483566 0.617800
C -4.985650 1.275235 -0.642052
C -1.903580 -0.635279 0.391593
C -1.092733 -1.097768 -0.847677
C 0.320096 -1.500030 -0.502941
C 1.430537 -0.611158 -0.200921
C 2.574776 -1.429971 0.091633
C 0.814304 -2.801543 -0.387799
C 1.554189 0.807033 -0.165212
C 3.830816 -0.871024 0.421273
C 2.810279 1.356953 0.159186
C 3.937759 0.528475 0.453141
C 1.982383 3.650975 -0.076253
H -3.733000 0.663458 1.952462
H -4.328273 -1.026609 1.786822
H -3.174916 0.734711 -1.822240
H -2.845340 1.767454 -0.389081
H -6.030176 1.117961 1.330123
H -6.134937 -0.346069 0.313023
H -5.548098 0.963910 -1.538580
H -5.124504 2.364373 -0.524661
H -1.376191 0.227774 0.878209
H -1.915148 -1.459714 1.129170
H -1.075699 -0.280391 -1.595871
H -1.637588 -1.940844 -1.311422
H 0.297653 -3.747740 -0.540888
H 2.765597 -3.578548 0.109420
H 0.689531 1.439121 -0.389115
H 4.701410 -1.497334 0.645259
H 4.883529 1.019754 0.700342
H 2.403636 4.662396 0.025347
H 1.142578 3.524421 0.636230
H 1.610485 3.504506 -1.110200


