%chk=000023251.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023251

0 1
 O   5.4900002E-02  -2.562300       1.754600    
 N   0.8520000      -1.840600      0.8644000    
 C   -1.392200      -1.503000     -0.1857000    
 C   -2.077900      -1.218200      -1.563700    
 C   -2.127500     -0.2979000      0.3207000    
 C   -2.729700     -4.8099998E-02 -0.8889000    
 C   0.1320000      -1.322500     -8.3899997E-02
 C   -2.347000      0.4935000       1.423400    
 C   0.8447000     -0.5143000      -1.149400    
 C   -3.589500       1.009100      -1.072200    
 C   -3.216600       1.576400       1.269700    
 C   -3.833800       1.832600      2.9899999E-02
 C    2.091800      0.1354000     -0.6128000    
 C    2.017000       1.405900     -5.8699999E-02
 C    3.300200     -0.5448000     -0.6797000    
 C    3.173000       2.008000      0.4382000    
 C    4.456000      5.7300001E-02 -0.1825000    
 C    4.392500       1.333700      0.3765000    
 H   -1.737900      -2.463200      0.2191000    
 H   -2.758200      -2.016800      -1.885500    
 H   -1.425400     -0.9967000      -2.413300    
 H   -1.867200      0.2891000       2.372900    
 H   0.1877000      0.2698000      -1.538900    
 H    1.081500      -1.178900      -1.988500    
 H   -4.059500       1.198800      -2.029500    
 H   -3.419800       2.229400       2.114200    
 H   -4.506500       2.680300     -6.8499997E-02
 H    1.071700       1.938600     -3.0000000E-03
 H    3.360800      -1.539300      -1.112700    
 H    3.123400       3.001500      0.8742000    
 H    5.405500     -0.4678000     -0.2304000    
 H    5.292400       1.802300      0.7638000    
 H   0.7146000      -2.880800       2.393400    


%chk=000023251-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023251

0 1
O -0.065887 -3.848893 -0.564291
N 0.724460 -2.788747 -1.231854
C -0.917814 -1.391815 0.022401
C -2.351577 -1.796344 -0.596247
C -1.517045 0.011821 0.234525
C -2.785812 -0.359971 -0.274996
C 0.268551 -1.597259 -0.895394
C -1.261146 1.292792 0.749016
C 1.020004 -0.434164 -1.519296
C -3.872922 0.526116 -0.302100
C -2.353975 2.204430 0.718060
C -3.624932 1.832482 0.206323
C 1.933837 0.315516 -0.544096
C 2.038556 1.728063 -0.603412
C 2.729043 -0.387485 0.396342
C 2.921461 2.424903 0.252317
C 3.608230 0.306830 1.257740
C 3.709156 1.715835 1.188857
H -0.742812 -1.947384 0.963292
H -2.861789 -2.605239 -0.047974
H -2.312910 -2.059519 -1.667254
H -0.288902 1.590486 1.154176
H 0.290347 0.274223 -1.954842
H 1.629724 -0.836531 -2.351120
H -4.860766 0.248748 -0.685903
H -2.215914 3.221200 1.104307
H -4.434016 2.572562 0.209385
H 1.424140 2.284264 -1.322430
H 2.659351 -1.480285 0.447009
H 2.991882 3.516912 0.190502
H 4.215800 -0.250377 1.980121
H 4.392128 2.253916 1.855756
H 0.374547 -4.670585 -0.901722


