%chk=000036726.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036726

0 1
 O   -1.625500     -0.3131000     -0.1101000    
 N   -5.196200      -1.053500     -0.5623000    
 N  -0.4973000      -1.140400     -0.1043000    
 N    1.036600       3.335100     -0.1803000    
 C    1.883400      -1.029300      0.1281000    
 C   0.5479000     -0.3963000      8.0200002E-02
 C   0.4280000       1.059500      0.3026000    
 C    2.973300     -0.5464000     -0.6092000    
 C    1.186700       2.000700     -0.3869000    
 C   -4.013600     -0.2704000     -0.3249000    
 C    2.904500      0.5801000      -1.547100    
 C   -2.765800      -1.134400     -0.3124000    
 C    2.018900      -2.165700      0.9413000    
 C    2.135800       1.672200      -1.451600    
 C    4.196000      -1.234300     -0.5162000    
 C  -0.5013000       1.507400       1.247400    
 C    3.243400      -2.823800       1.029700    
 C    4.332300      -2.358200      0.3012000    
 C   -6.397200     -0.2058000     -0.6189000    
 C   -5.371900      -2.085200      0.4715000    
 C  -0.6521000       2.867900       1.478200    
 C   0.1340000       3.733900      0.7439000    
 H   -4.074100      0.2924000      0.6169000    
 H   -3.893300      0.4867000      -1.111100    
 H    3.583400      0.5214000      -2.396400    
 H   -2.660400      -1.669500      -1.264600    
 H   -2.785100      -1.863900      0.5040000    
 H    1.179000      -2.543400       1.519500    
 H    2.241500       2.432600      -2.223300    
 H    5.062900     -0.9012000      -1.084400    
 H   -1.074700      0.8204000       1.865200    
 H    3.346200      -3.699400       1.663600    
 H    5.287400      -2.871600      0.3624000    
 H   -6.581200      0.3096000      0.3308000    
 H   -6.296400      0.5475000      -1.408200    
 H   -7.280200     -0.8048000     -0.8680000    
 H   -6.341100      -2.584300      0.3507000    
 H   -5.333400      -1.668700       1.484600    
 H   -4.628900      -2.883100      0.3789000    
 H   -1.353900       3.236200       2.217500    
 H   5.9000000E-02   4.807400      0.8820000    


%chk=000036726-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036726

0 1
O -1.731999 -0.261673 0.145249
N -5.285988 -1.238960 -0.486226
N -0.462485 -0.975147 0.057503
N 1.197645 3.576089 -0.302664
C 1.886818 -0.935281 0.171712
C 0.597299 -0.180336 0.170929
C 0.558517 1.296168 0.371819
C 3.013222 -0.554839 -0.630193
C 1.344655 2.204559 -0.412204
C -4.121454 -0.442039 -0.037219
C 3.080628 0.645908 -1.468403
C -2.806844 -1.212638 -0.229011
C 1.954316 -2.127219 0.942043
C 2.365087 1.814271 -1.387970
C 4.152932 -1.414674 -0.644545
C -0.325783 1.851188 1.336429
C 3.099168 -2.947896 0.929504
C 4.207233 -2.590094 0.124333
C -6.466687 -0.394552 -0.762574
C -5.613652 -2.358306 0.421533
C -0.428499 3.246703 1.482592
C 0.337509 4.069779 0.622337
H -4.210635 -0.118210 1.031418
H -4.069715 0.474989 -0.652136
H 3.879829 0.624821 -2.222419
H -2.687154 -1.516738 -1.283934
H -2.729753 -2.104842 0.418955
H 1.082698 -2.404385 1.542304
H 2.644783 2.636560 -2.056774
H 5.008843 -1.134762 -1.270248
H -0.934444 1.183903 1.950763
H 3.125589 -3.861433 1.533190
H 5.100962 -3.222762 0.099075
H -6.865615 0.126634 0.145012
H -6.209070 0.372849 -1.513542
H -7.277568 -1.019100 -1.178467
H -6.460052 -2.932162 0.004682
H -5.897912 -2.018624 1.450927
H -4.756737 -3.047184 0.512959
H -1.101047 3.691197 2.222376
H 0.261961 5.162539 0.670888


