%chk=000053242.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053242

0 1
 O   -3.306100     -0.3209000     -6.9399998E-02
 N    2.966300     -2.9400000E-02  0.8825000    
 N    2.658000      -1.335800       1.352500    
 C    2.305800      0.1418000     -0.4248000    
 C   0.8226000      1.9400001E-02 -0.3312000    
 C    2.751200       1.484500      -1.032400    
 C   0.1604000     -0.9930000      -1.025900    
 C   9.7199999E-02  0.9172000      0.4520000    
 C   -1.227000      -1.107300     -0.9377000    
 C   -1.290100      0.8028000      0.5403000    
 C   -1.952300     -0.2094000     -0.1545000    
 C   -3.985900      0.6301000      0.7487000    
 H    2.691800     -0.6307000      -1.106200    
 H    2.280900       1.642200      -2.009700    
 H    3.837200       1.503900      -1.178600    
 H    2.486200       2.335500     -0.3949000    
 H   0.7103000      -1.701000      -1.640300    
 H   0.5946000       1.710300       1.004100    
 H    3.976000      6.0100000E-02  0.7727000    
 H   -1.737300      -1.897700      -1.481300    
 H   -1.791500       1.532600       1.166900    
 H    3.129700      -2.029000      0.7722000    
 H    3.043100      -1.448800       2.289300    
 H   -3.867300       1.649000      0.3646000    
 H   -3.686000      0.5448000       1.798700    
 H   -5.053800      0.3929000      0.7011000    


%chk=000053242-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053242

0 1
O -3.356880 -0.108511 -0.129563
N 3.069964 0.066818 0.844008
N 2.983491 -1.097328 1.677421
C 2.409382 -0.015831 -0.486393
C 0.886071 -0.056107 -0.338516
C 2.860607 1.203789 -1.327350
C 0.089575 -0.817687 -1.231846
C 0.234297 0.702142 0.661385
C -1.315233 -0.812577 -1.141961
C -1.174538 0.716268 0.773305
C -1.952427 -0.042136 -0.137429
C -4.063254 0.675084 0.885087
H 2.721047 -0.944956 -1.031460
H 2.368555 1.195416 -2.314574
H 3.956508 1.196560 -1.487234
H 2.586049 2.140706 -0.811164
H 0.574374 -1.423770 -2.008099
H 0.852509 1.276589 1.361128
H 4.049205 0.371416 0.777391
H -1.936727 -1.396713 -1.827738
H -1.647200 1.311404 1.561003
H 3.074748 -1.990681 1.163096
H 2.124639 -1.074726 2.238021
H -3.859175 1.758172 0.773763
H -3.790475 0.351349 1.908777
H -5.131111 0.479411 0.707643


