%chk=000035896.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035896

0 1
 O   -1.105500      -1.257400      0.3585000    
 O  -2.9800000E-02 -0.5080000      -1.515400    
 N   -3.886600       1.033700     -0.5426000    
 N    1.025100     -0.5891000      0.5729000    
 C   -2.386400     -0.8952000     -0.1460000    
 C   -3.453400      -1.569800      0.7103000    
 C   -2.539900      0.6283000     -0.1211000    
 C   -4.841500      -1.082000      0.3163000    
 C   -4.915100      0.4460000      0.3273000    
 C   -4.001400       2.491700     -0.5584000    
 C  -1.9700000E-02 -0.7543000     -0.3154000    
 C    2.324200     -9.9299997E-02  0.3074000    
 C    3.328000     -0.9866000     -5.4200001E-02
 C    2.576000       1.261400      0.4124000    
 C    4.610000     -0.5033000     -0.3162000    
 C    3.858000       1.744600      0.1503000    
 C    3.075400      -2.454800     -0.1724000    
 C    1.507500       2.231600      0.8004000    
 C    4.874900      0.8623000     -0.2141000    
 H   -2.480400      -1.268100      -1.175100    
 H   -3.268600      -1.357200       1.771400    
 H   -3.386300      -2.659300      0.6075000    
 H   -2.306800       1.008800      0.8835000    
 H   -1.808600       1.090000     -0.7939000    
 H   -5.090400      -1.455300     -0.6851000    
 H   -5.587500      -1.493500       1.005400    
 H   -5.911200      0.7418000     -2.3800001E-02
 H   -4.810600      0.8116000       1.357400    
 H   -3.845600       2.930300      0.4339000    
 H   -4.990500       2.795900     -0.9185000    
 H   -3.269900       2.928600      -1.247500    
 H   0.8506000     -0.8452000       1.541400    
 H    5.414100      -1.176300     -0.6021000    
 H    4.081900       2.805600      0.2242000    
 H    2.379000      -2.657200     -0.9927000    
 H    2.661100      -2.851300      0.7606000    
 H    3.996300      -3.011700     -0.3775000    
 H    1.902800       3.245900      0.9236000    
 H   0.7310000       2.272400      2.9600000E-02
 H    1.054400       1.945100       1.755400    
 H    5.873000       1.238700     -0.4186000    


%chk=000035896-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000035896

0 1
O -1.061619 -0.392025 0.865257
O 0.046995 -0.333112 -1.223178
N -4.267293 0.661510 -0.829902
N 1.182472 -0.112453 0.845236
C -2.372242 -0.565475 0.171327
C -3.306641 -1.251001 1.174543
C -2.913451 0.814566 -0.252203
C -4.737929 -1.320874 0.589983
C -5.217103 0.076062 0.144815
C -4.762327 1.910177 -1.438589
C 0.074321 -0.281894 0.030696
C 2.536401 0.075723 0.402147
C 3.171138 -0.881923 -0.441936
C 3.234803 1.223270 0.885397
C 4.514855 -0.640243 -0.824643
C 4.580363 1.412792 0.494488
C 2.465204 -2.139427 -0.905372
C 2.545385 2.227605 1.792823
C 5.217963 0.492826 -0.366127
H -2.214275 -1.183263 -0.731144
H -3.312120 -0.660683 2.112552
H -2.926761 -2.259221 1.419631
H -2.909825 1.488294 0.645653
H -2.244948 1.250621 -1.015175
H -4.754820 -1.996475 -0.286245
H -5.433595 -1.731728 1.345643
H -6.209297 0.001179 -0.337774
H -5.332379 0.733812 1.048833
H -4.900952 2.740282 -0.699601
H -5.734665 1.724940 -1.929599
H -4.050742 2.255121 -2.209665
H 0.971508 0.023797 1.836391
H 5.014048 -1.365603 -1.477680
H 5.122908 2.293627 0.857291
H 1.738359 -1.909347 -1.705146
H 1.892730 -2.605439 -0.081735
H 3.191528 -2.877708 -1.285427
H 3.174872 3.121931 1.934276
H 1.575407 2.552440 1.372925
H 2.341424 1.812088 2.800748
H 6.257899 0.654631 -0.670417


