%chk=000017119.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017119

0 1
 O   -1.069100      -2.149000     -0.5203000    
 N    1.347800     -0.8201000      0.3113000    
 N    2.605800       1.079700     -0.2493000    
 N    3.687700     -0.9932000      0.3336000    
 C   -1.126100      -1.029500      0.3738000    
 C   8.5100003E-02 -0.1094000      0.1226000    
 C   -2.423500     -0.3193000      0.1817000    
 C   -3.029000      0.3301000       1.257500    
 C   -3.031200     -0.3041000      -1.073800    
 C   -4.242200      0.9945000       1.078000    
 C   -4.244500      0.3604000      -1.253200    
 C    2.577300     -0.2300000      0.1271000    
 C   -4.850000       1.009700     -0.1773000    
 C    3.827400       1.626300     -0.4202000    
 C    4.876100     -0.3829000      0.1446000    
 C    5.008400      0.9369000     -0.2361000    
 H   -1.065400      -1.444900       1.387500    
 H   4.2300001E-02  0.7532000      0.7989000    
 H   4.7499999E-02  0.2656000     -0.9083000    
 H    1.330400      -1.794000      0.5899000    
 H   -2.564500      0.3270000       2.240100    
 H   -2.575300     -0.7888000      -1.932800    
 H   -1.815800      -2.735600     -0.3084000    
 H   -4.713300       1.500700       1.915500    
 H   -4.716300      0.3754000      -2.231400    
 H   -5.794100       1.527900     -0.3174000    
 H    3.830700       2.668900     -0.7197000    
 H    5.748500      -1.005100      0.3132000    
 H    5.974800       1.400700     -0.3805000    


%chk=000017119-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017119

0 1
O -0.983766 -2.308089 -0.159688
N 1.355001 -0.873128 -0.543010
N 2.516298 1.117687 -0.006578
N 3.648807 -1.063383 -0.145753
C -0.975797 -0.895111 0.287356
C 0.054308 -0.215667 -0.641713
C -2.351680 -0.252135 0.189640
C -2.800597 0.636720 1.197546
C -3.188720 -0.513440 -0.925879
C -4.063391 1.262391 1.091617
C -4.452186 0.108541 -1.030783
C 2.532185 -0.245843 -0.221536
C -4.892541 0.999592 -0.023495
C 3.715248 1.687861 0.292525
C 4.818881 -0.444067 0.155773
C 4.918206 0.951217 0.385458
H -0.603094 -0.835922 1.332134
H 0.182612 0.844211 -0.371839
H -0.331843 -0.269909 -1.679237
H 1.388505 -1.888372 -0.657400
H -2.160977 0.839453 2.066061
H -2.846516 -1.213770 -1.696140
H -1.647636 -2.813385 0.373166
H -4.401607 1.947392 1.877128
H -5.093736 -0.099745 -1.894531
H -5.873422 1.481247 -0.104726
H 3.696697 2.770959 0.462185
H 5.699901 -1.094102 0.214257
H 5.870359 1.429897 0.624060


