%chk=000113767.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113767

0 1
 O   -5.686100      0.5279000      0.3890000    
 N    2.125000      0.5225000     -0.3218000    
 C    2.609000     -0.6924000      0.3656000    
 C    1.790600      -1.923800     -5.9400000E-02
 C  -0.1715000     -0.4227000     -0.4942000    
 C   0.6987000      0.7663000     -4.4700000E-02
 C    4.094500     -0.9425000      5.0799999E-02
 C   0.2986000      -1.717800      0.1815000    
 C    2.916100       1.704800      5.3800002E-02
 C    4.952700      0.2684000      0.3964000    
 C    4.396500       1.517300     -0.2734000    
 C   -1.649300     -0.1678000     -0.2579000    
 C   -2.528500     -0.1290000      -1.337600    
 C   -2.120600      2.5599999E-02   1.038600    
 C   -3.886300      0.1049000      -1.119900    
 C   -3.478300      0.2592000       1.256400    
 C   -4.361200      0.2991000      0.1771000    
 H    2.502400     -0.5637000       1.452500    
 H    2.126800      -2.807000      0.4971000    
 H    1.956500      -2.138200      -1.123400    
 H  -1.8100001E-02 -0.5467000      -1.576700    
 H   0.3705000       1.661400     -0.5898000    
 H   0.5537000      0.9745000       1.023700    
 H    4.219100      -1.178200      -1.014500    
 H    4.455200      -1.812700      0.6123000    
 H  -0.2606000      -2.577100     -0.2083000    
 H   0.1160000      -1.688200       1.262800    
 H    2.802500       1.924800       1.123600    
 H    2.555800       2.581700     -0.4980000    
 H    5.987100      9.9500000E-02  7.7500001E-02
 H    4.968800      0.4094000       1.483900    
 H    4.962600       2.396300      5.5100001E-02
 H    4.527000       1.440500      -1.360300    
 H   -2.173900     -0.2784000      -2.353700    
 H   -1.451400     -5.0000002E-04   1.893800    
 H   -4.563700      0.1335000      -1.969200    
 H   -3.842600      0.4099000       2.269000    
 H   -6.147800      0.5219000     -0.4671000    


%chk=000113767-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113767

0 1
O -5.782131 0.609804 0.396679
N 2.140577 0.491146 -0.299496
C 2.666330 -0.723573 0.391538
C 1.837376 -1.962870 -0.014526
C -0.171008 -0.485850 -0.475132
C 0.700904 0.713578 -0.020580
C 4.160133 -0.932370 0.055671
C 0.329292 -1.767857 0.241149
C 2.927999 1.710045 0.024452
C 5.009374 0.317100 0.372289
C 4.412810 1.545943 -0.348081
C -1.654630 -0.209047 -0.256993
C -2.531602 -0.056542 -1.358863
C -2.204257 -0.076344 1.048305
C -3.906926 0.214988 -1.179256
C -3.571500 0.195329 1.248623
C -4.424559 0.341052 0.130793
H 2.573015 -0.588889 1.506640
H 2.213719 -2.842848 0.542730
H 2.007680 -2.154725 -1.092883
H 0.007931 -0.616362 -1.561424
H 0.380718 1.626624 -0.557302
H 0.519420 0.895299 1.073219
H 4.243659 -1.168039 -1.024233
H 4.531828 -1.811439 0.617680
H -0.245382 -2.646330 -0.108509
H 0.145575 -1.677185 1.331400
H 2.854696 1.955165 1.118615
H 2.485614 2.559476 -0.530143
H 6.061662 0.157286 0.069244
H 5.011681 0.498497 1.467392
H 4.964229 2.467367 -0.078686
H 4.496382 1.411364 -1.444000
H -2.134272 -0.152474 -2.376663
H -1.557218 -0.190436 1.925960
H -4.565304 0.326229 -2.051157
H -3.994935 0.296905 2.252482
H -6.293077 0.692681 -0.446335


