%chk=000094490.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094490

1 1
 O   -2.078100      -1.130700      0.4569000    
 O    2.153400       1.440000      0.3026000    
 N   -2.977000      0.8865000     -0.2621000    
 N   0.4511000     -0.1610000      6.6999998E-03
 N    4.146600     -0.4474000     -0.1651000    
 N    5.196800     -0.1858000     -0.1398000    
 C  -0.6270000      0.7886000      0.2426000    
 C   -4.346800      0.4465000     -0.4012000    
 C   -1.949500      5.4600000E-02  0.1585000    
 C   -4.493000      -1.019400     -2.9800000E-02
 C    1.790300      0.1286000      2.9700000E-02
 C    2.733200     -0.8003000     -0.1991000    
 H  -0.5435000       1.227300       1.242700    
 H  -0.5853000       1.588200     -0.5048000    
 H   -4.965300       1.076700      0.2451000    
 H   -4.647100      0.6186000      -1.439300    
 H   -2.775700       1.858700     -0.4760000    
 H   0.2013000      -1.124500     -0.1979000    
 H   -3.943300      -1.687700     -0.7005000    
 H   -4.269100      -1.218500       1.023300    
 H   -5.548400      -1.294000     -0.1546000    
 H    2.469700      -1.830500     -0.4141000    
 H    3.124900       1.492300      0.2851000    


%chk=000094490-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094490

1 1
O -1.497294 -0.946274 -1.157874
O 2.171000 1.251236 0.841969
N -2.956448 0.511361 -0.050663
N 0.639831 -0.005528 -0.271793
N 4.240256 -0.403376 -0.385774
N 5.394647 -0.279427 -0.209199
C -0.500317 0.745409 0.273917
C -4.221788 -0.071389 -0.571987
C -1.728945 0.035813 -0.370206
C -5.140553 -0.556877 0.563694
C 1.924284 0.216183 -0.019650
C 2.941961 -0.596172 -0.628572
H -0.523909 0.685008 1.377292
H -0.446490 1.811448 -0.012939
H -4.731265 0.695232 -1.185021
H -3.936455 -0.901903 -1.237317
H -3.035579 1.296941 0.601863
H 0.265842 -0.764227 -0.908834
H -4.655128 -1.347671 1.160663
H -5.431353 0.267771 1.240432
H -6.067449 -0.973727 0.133368
H 2.691215 -1.406413 -1.316207
H 3.122137 1.443381 1.041740


