%chk=000011482.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011482

1 1
 O   -2.641900      0.5414000      0.4641000    
 O   -2.097900      -1.030200      -1.146200    
 N   0.8431000       1.449700      0.5715000    
 N   -4.094800      -1.221200      3.0999999E-02
 C    2.047800       1.076800       1.307500    
 C    2.783800     -3.9000001E-02  0.6178000    
 C  -0.3086000      0.8286000      0.8602000    
 C   0.9288000       2.401700     -0.3676000    
 C   -1.434200       1.182700      0.1697000    
 C    3.755200      0.2630000     -0.3275000    
 C    2.482600      -1.356900      0.9347000    
 C  -0.2001000       2.777600      -1.081700    
 C   -1.410000       2.149400     -0.8025000    
 C    4.437800     -0.7716000     -0.9672000    
 C    3.165200      -2.391500      0.2950000    
 C    4.142800      -2.099000     -0.6560000    
 C   -2.878400     -0.6098000     -0.2928000    
 C   -4.509500      -2.435300     -0.6574000    
 C   -5.011900     -0.7165000       1.047600    
 H    1.762300      0.7925000       2.328400    
 H    2.683400       1.965100       1.414700    
 H  -0.2957000      7.2099999E-02   1.634400    
 H    1.896700       2.857000     -0.5393000    
 H    3.995600       1.292500     -0.5767000    
 H    1.724900      -1.597500       1.674900    
 H  -0.1406000       3.547700      -1.843300    
 H   -2.306400       2.427200      -1.347200    
 H    5.199300     -0.5439000      -1.707300    
 H    2.935800      -3.425000      0.5376000    
 H    4.674400      -2.904600      -1.154000    
 H   -4.632100      -3.233800      8.0100000E-02
 H   -3.773800      -2.749100      -1.402100    
 H   -5.464200      -2.248000      -1.157400    
 H   -5.144100      -1.488100       1.811700    
 H   -5.974900     -0.5046000      0.5740000    
 H   -4.647600      0.1940000       1.526800    


%chk=000011482-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000011482

1 1
O -3.002041 0.319600 -0.036522
O -2.682094 -1.571507 1.381781
N 0.701330 0.402071 0.281719
N -4.832488 -0.889918 0.710538
C 1.824755 -0.299285 1.059837
C 3.122280 -0.392267 0.287023
C -0.587947 -0.018203 0.500819
C 1.000937 1.440601 -0.559390
C -1.658211 0.634780 -0.158114
C 4.222404 0.428021 0.644523
C 3.256403 -1.315169 -0.783216
C -0.036804 2.117214 -1.222440
C -1.371556 1.719988 -1.029263
C 5.443285 0.330020 -0.061033
C 4.473322 -1.407869 -1.490978
C 5.567937 -0.584874 -1.131413
C -3.478726 -0.821280 0.767198
C -5.506017 -1.983063 1.450806
C -5.714832 0.030058 -0.038533
H 1.427666 -1.295798 1.315134
H 1.954850 0.275895 1.993277
H -0.759849 -0.854868 1.178382
H 2.056579 1.687310 -0.681102
H 4.135346 1.127527 1.485613
H 2.418534 -1.969465 -1.055091
H 0.210369 2.946380 -1.888730
H -2.196956 2.225130 -1.537863
H 6.292609 0.957352 0.227298
H 4.575112 -2.126025 -2.310896
H 6.514339 -0.664975 -1.675971
H -6.188436 -1.557340 2.207641
H -4.754041 -2.609526 1.950633
H -6.090767 -2.603468 0.748738
H -6.448713 0.479175 0.654350
H -6.263372 -0.531032 -0.816670
H -5.132408 0.828210 -0.512580


