%chk=000046251.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046251

0 1
 O    2.208000       1.110300      0.2044000    
 O   -3.048200     -0.9827000     -0.6806000    
 O   0.2519000       2.197000     -0.3693000    
 O   -3.460800       1.214800      1.2300000E-02
 N    4.085500     -0.6945000      -1.026700    
 C    1.748400     -7.5000003E-02 -0.4589000    
 C    2.847600      -1.154500     -0.4015000    
 C   0.4788000     -0.5280000      0.1787000    
 C  -0.7052000     -0.5440000     -0.5585000    
 C   0.4753000     -0.9353000       1.512800    
 C   -1.892700     -0.9675000      3.8199998E-02
 C  -0.7121000      -1.358900       2.109600    
 C   -1.896100      -1.375000       1.372200    
 C    5.117800      -1.716400     -0.9409000    
 C    1.351400       2.168800      0.1670000    
 C    1.959700       3.328500      0.8957000    
 C   -3.779800      0.2146000     -0.6168000    
 C   -5.029700      9.7599998E-02  -1.437700    
 H    1.584600      0.1758000      -1.516600    
 H    2.488300      -2.063000     -0.9013000    
 H    3.068400      -1.410400      0.6419000    
 H  -0.7121000     -0.2325000      -1.600300    
 H    1.382200     -0.9171000       2.110600    
 H    4.406600      0.1540000     -0.5613000    
 H  -0.7158000      -1.672800       3.149400    
 H   -2.817600      -1.705700       1.843500    
 H    4.813800      -2.632800      -1.457200    
 H    5.363600      -1.955400      9.8999999E-02
 H    6.029600      -1.354100      -1.425900    
 H    2.131000       3.060400       1.941300    
 H    1.272300       4.178600      0.8621000    
 H    2.896500       3.619300      0.4137000    
 H   -4.769000     -9.5500000E-02  -2.481100    
 H   -5.587800       1.036700      -1.384900    
 H   -5.657000     -0.7049000      -1.042000    


%chk=000046251-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046251

0 1
O 2.466663 1.154054 0.421334
O -3.083368 -0.441818 -0.793634
O 1.200029 2.744047 -0.731983
O -4.858048 -1.052364 0.635382
N 3.989743 -0.758654 -1.051882
C 1.766709 0.053020 -0.344977
C 2.757696 -1.120193 -0.336050
C 0.432543 -0.266610 0.305566
C -0.748906 -0.214842 -0.463252
C 0.354464 -0.639496 1.673307
C -1.989958 -0.546180 0.122967
C -0.893449 -0.960539 2.244637
C -2.084949 -0.924945 1.482076
C 4.959859 -1.856298 -1.207673
C 2.053060 2.466365 0.138463
C 2.761332 3.451060 1.043890
C -4.437729 -0.693244 -0.483033
C -5.271023 -0.456489 -1.722829
H 1.626196 0.412472 -1.379317
H 2.277012 -1.970261 -0.858451
H 2.930774 -1.447545 0.720087
H -0.725092 0.098563 -1.511668
H 1.262321 -0.657172 2.285460
H 4.409018 0.088600 -0.648053
H -0.953281 -1.244962 3.300919
H -3.048462 -1.174040 1.926545
H 4.515636 -2.659958 -1.824276
H 5.294700 -2.318105 -0.246246
H 5.853906 -1.486393 -1.739740
H 2.202445 3.535600 1.994099
H 2.784898 4.442336 0.566773
H 3.781569 3.111292 1.281274
H -5.135738 0.579197 -2.079248
H -6.330751 -0.638519 -1.494303
H -4.942418 -1.127577 -2.535266


