%chk=000080251.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080251

0 1
 O  -0.7880000       1.641500     -0.1897000    
 O    4.434300      -1.807700     -0.6511000    
 O    5.136800     -0.2268000      0.7003000    
 N    4.236800     -0.7560000      4.3000001E-03
 N   -5.245400      -1.644600      0.3193000    
 C   0.4607000       1.044600     -0.1404000    
 C   -1.878900      0.8371000     -6.5899998E-02
 C   0.6819000     -0.1158000     -0.8599000    
 C    1.454900       1.625200      0.6263000    
 C    2.955700     -0.1457000     -4.3699998E-02
 C   -1.909400     -0.1489000      0.9203000    
 C   -2.966200      0.9987000     -0.9243000    
 C    1.940100     -0.7160000     -0.8112000    
 C    2.713000       1.024900      0.6749000    
 C   -4.114800     -0.8117000      0.1895000    
 C   -3.027300     -0.9732000       1.048000    
 C   -4.084200      0.1743000     -0.7966000    
 H  -8.4899999E-02 -0.5656000      -1.483700    
 H    1.266800       2.536300       1.186100    
 H   -1.087100     -0.2821000       1.618300    
 H   -2.947900       1.764700      -1.694600    
 H    2.094500      -1.624200      -1.388200    
 H    3.480000       1.497400       1.283200    
 H   -3.041300      -1.734500       1.823800    
 H   -4.925200      0.3102000      -1.471700    
 H   -5.267400      -2.360700       1.033100    
 H   -6.033500      -1.528900     -0.3038000    


%chk=000080251-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080251

0 1
O -0.750983 1.435503 0.381962
O 4.704270 -1.673407 -0.843663
O 5.493106 0.308321 -0.027780
N 4.525199 -0.486144 -0.357974
N -5.558410 -1.520058 -0.037398
C 0.519409 0.883563 0.187621
C -1.922172 0.618687 0.244712
C 0.748813 -0.408844 -0.354757
C 1.605465 1.725792 0.544967
C 3.143928 -0.012399 -0.170952
C -2.174541 -0.447758 1.134159
C -2.873961 0.989388 -0.724992
C 2.069158 -0.855140 -0.535998
C 2.922275 1.279295 0.366510
C -4.360156 -0.812897 0.057071
C -3.383473 -1.162425 1.037725
C -4.086674 0.279044 -0.819461
H -0.093857 -1.044680 -0.638912
H 1.388937 2.715460 0.956364
H -1.438496 -0.708567 1.901987
H -2.663150 1.831809 -1.390799
H 2.283536 -1.840767 -0.957351
H 3.779910 1.902040 0.633020
H -3.579288 -1.989740 1.729983
H -4.827124 0.569756 -1.573852
H -5.759133 -2.293292 0.589622
H -6.258586 -1.270042 -0.729215


