%chk=000046516.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046516

0 1
 O  -0.7073000      -1.965400      -1.601500    
 O   0.6655000      0.4884000       2.159400    
 O   -3.136400       1.641500     -0.1369000    
 N   -1.865100     -0.1037000     -0.9265000    
 N   -1.179100       1.122500      0.9518000    
 C   0.4010000     -0.4606000     -5.6400001E-02
 C    1.289200      0.4188000     -0.9546000    
 C    1.213400      -1.667700      0.4346000    
 C  -0.7626000     -0.9449000     -0.9158000    
 C  -1.3100000E-02  0.3947000       1.136900    
 C    2.506000      0.9217000     -0.1916000    
 C   0.3400000      -2.602000       1.226100    
 C    3.370600       1.809900      -1.071900    
 C   -2.122200      0.9467000     -5.3500000E-02
 H   0.7190000       1.277500      -1.334200    
 H    1.612700     -0.1464000      -1.838900    
 H    2.040500      -1.375800       1.090200    
 H    1.653500      -2.214400     -0.4087000    
 H    3.141100      0.1008000      0.1518000    
 H    2.229800       1.522800      0.6782000    
 H  -0.1271000      -2.114000       2.087000    
 H  -0.4506000      -3.065000      0.6297000    
 H   0.9493000      -3.423300       1.620900    
 H   -2.599900     -0.3266000      -1.592100    
 H   -1.408100       1.803400       1.670600    
 H    3.729200       1.263500      -1.950200    
 H    2.811800       2.686000      -1.416700    
 H    4.243600       2.163900     -0.5142000    


%chk=000046516-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046516

0 1
O -0.554891 -1.779873 -1.835857
O 0.608690 0.643422 2.190568
O -3.380695 1.444013 -0.043261
N -1.909018 -0.137280 -0.939730
N -1.317196 1.078415 0.995374
C 0.413144 -0.435544 -0.016827
C 1.379219 0.459941 -0.913193
C 1.158418 -1.690106 0.523903
C -0.704743 -0.867787 -0.983221
C -0.070787 0.435692 1.152147
C 2.693210 0.917818 -0.242691
C 0.254222 -2.666532 1.304978
C 3.485073 1.863182 -1.173307
C -2.278659 0.843813 -0.002870
H 0.818216 1.352033 -1.260782
H 1.611799 -0.144997 -1.811182
H 1.971513 -1.339466 1.181340
H 1.610704 -2.207618 -0.341347
H 3.318531 0.038335 -0.001111
H 2.479695 1.424708 0.715844
H -0.193286 -2.181918 2.192108
H -0.556787 -3.066926 0.670446
H 0.846351 -3.526650 1.664518
H -2.616247 -0.365360 -1.646282
H -1.594123 1.736609 1.731353
H 3.735588 1.369627 -2.131191
H 2.904823 2.775808 -1.406482
H 4.431935 2.178941 -0.699746


