%chk=000042806.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042806

0 1
 O   -6.375600     -1.2500000E-02 -0.1498000    
 N  -8.3899997E-02  1.3000000E-03  -1.274300    
 N    3.617000     -2.4000001E-03  0.6934000    
 N   -5.602500      2.4999999E-03   2.009100    
 C    1.171100     -9.9999997E-05 -0.6069000    
 C    1.782100      -1.215400     -0.2817000    
 C    1.784200       1.214000     -0.2815000    
 C    3.022000      -1.169000      0.3776000    
 C    3.024200       1.165300      0.3777000    
 C    1.188600      -2.450100     -0.5969000    
 C    1.193000       2.449900     -0.5965000    
 C   -1.403000      3.3000000E-03 -0.8021000    
 C    3.635400      -2.375600      0.7041000    
 C    3.639800       2.370700      0.7045000    
 C    1.822500      -3.642200     -0.2595000    
 C    1.829100       3.640800     -0.2588000    
 C    3.048400      -3.604500      0.3923000    
 C    3.055000       3.600700      0.3931000    
 C   -1.661700      3.3000000E-03  0.5734000    
 C   -2.475400      3.8000001E-03  -1.701200    
 C   -4.038600      4.3000001E-03  0.1409000    
 C   -2.975000      3.8000001E-03   1.043500    
 C   -3.788800      4.4000000E-03  -1.231400    
 C   -5.407900      3.5999999E-03  0.6309000    
 H   9.9999998E-03  3.1000001E-03  -2.285700    
 H   0.2330000      -2.515800      -1.110400    
 H   0.2376000       2.517500      -1.110100    
 H    4.596600      -2.372500       1.215100    
 H    4.600900       2.365700       1.215500    
 H    1.362700      -4.594400     -0.5050000    
 H    1.371000       4.594100     -0.5040000    
 H    3.551800      -4.528900      0.6599000    
 H    3.559900       4.524100      0.6609000    
 H  -0.8520000      2.4999999E-03   1.298800    
 H   -2.296300      3.5999999E-03  -2.773700    
 H   -3.094300      3.1000001E-03   2.120200    
 H   -4.600400      4.8000002E-03  -1.954200    
 H   -4.875500      1.0600000E-02   2.712500    
 H   -6.549000     -4.9999999E-03   2.376500    


%chk=000042806-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042806

0 1
O -6.430724 -0.007632 -0.125515
N -0.091760 0.002062 -1.445026
N 3.632650 -0.001807 0.746501
N -5.668420 0.006405 2.055111
C 1.132695 0.000769 -0.689732
C 1.748099 -1.230764 -0.324724
C 1.750464 1.231021 -0.324415
C 3.017830 -1.176477 0.400289
C 3.020158 1.174123 0.400463
C 1.179364 -2.514757 -0.638175
C 1.184075 2.516189 -0.637310
C -1.378146 0.001137 -0.885631
C 3.660511 -2.411024 0.768048
C 3.665255 2.407344 0.768449
C 1.829799 -3.685680 -0.261549
C 1.836790 3.685772 -0.260450
C 3.082574 -3.634402 0.445191
C 3.089616 3.631912 0.446005
C -1.579615 -0.001738 0.524575
C -2.519834 0.002779 -1.741678
C -4.025062 -0.000313 0.204901
C -2.883830 -0.002413 1.050388
C -3.812517 0.001931 -1.200061
C -5.447361 -0.000806 0.683442
H -0.019211 0.004703 -2.463680
H 0.222505 -2.548886 -1.168543
H 0.227084 2.552323 -1.167317
H 4.610061 -2.338773 1.306871
H 4.614727 2.333127 1.307141
H 1.387535 -4.659013 -0.500204
H 1.396277 4.660017 -0.498634
H 3.577695 -4.569199 0.729783
H 3.586559 4.565683 0.730789
H -0.716449 -0.003642 1.197198
H -2.381452 0.004660 -2.830261
H -2.985990 -0.005886 2.142485
H -4.697224 0.002850 -1.845390
H -4.922111 0.015465 2.745037
H -6.636619 0.005340 2.371826


