%chk=000013973.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013973

0 1
 O    2.402500       1.626200       1.117300    
 O   4.1099999E-02  -1.606800      -1.211400    
 O   -2.023500       1.338400       1.795200    
 N    1.245800     -0.1396000      0.1137000    
 N   -1.142200     -0.1798000      0.2284000    
 C    2.472500     -0.8404000     -0.1806000    
 C    3.330500     -4.1000001E-02  -1.164800    
 C    3.239700      -1.143400       1.108600    
 C    4.658200     -0.7389000      -1.448400    
 C    4.568400      -1.838400      0.8226000    
 C    5.420400      -1.041800     -0.1616000    
 C   5.7799999E-02   1.874300      0.7858000    
 C    1.353600       1.114000      0.7262000    
 C   3.9500002E-02 -0.7254000     -0.3453000    
 C  -0.1197000       2.700100     -0.4852000    
 C   -1.148100      0.9969000      0.9987000    
 C   -1.331300       3.620200     -0.3821000    
 C   -2.392700     -0.8883000      5.5900000E-02
 C   -1.523400       4.423500      -1.658500    
 C   -3.589000     -0.1811000      6.0600001E-02
 C   -2.383400      -2.267600     -0.1131000    
 C   -4.794100     -0.8634000     -0.1060000    
 C   -3.588600      -2.949900     -0.2799000    
 C   -4.793900      -2.247700     -0.2763000    
 H    2.247600      -1.807200     -0.6481000    
 H    3.555600      0.9681000     -0.8062000    
 H    2.783900      8.9900002E-02  -2.107400    
 H    2.629700      -1.787300       1.755000    
 H    3.465000     -0.2544000       1.702400    
 H    5.273400     -0.1113000      -2.103300    
 H    4.469800      -1.674500      -1.989400    
 H    4.375900      -2.837300      0.4118000    
 H    5.120700      -1.981200       1.758400    
 H    6.332900      -1.601200     -0.3964000    
 H    5.733400     -0.1005000      0.3066000    
 H   0.1289000       2.540200       1.656700    
 H  -0.2306000       2.046900      -1.360300    
 H   0.7811000       3.301400     -0.6641000    
 H   -1.209000       4.308200      0.4624000    
 H   -2.248800       3.049400     -0.2077000    
 H  -0.6475000       5.046500      -1.865800    
 H   -1.687700       3.764100      -2.516800    
 H   -2.393100       5.081600      -1.565000    
 H   -3.636100      0.9005000      0.1333000    
 H   -1.482200      -2.868700     -5.5300001E-02
 H   -5.732100     -0.3159000     -0.1154000    
 H   -3.590500      -4.029700     -0.3975000    
 H   -5.732200      -2.779200     -0.4053000    


%chk=000013973-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013973

0 1
O 2.315000 1.693574 1.182833
O 0.042068 -1.839966 -0.892800
O -2.365083 1.376383 1.504506
N 1.229448 -0.069272 0.086428
N -1.197685 -0.219912 0.248638
C 2.525833 -0.761017 -0.267471
C 3.429950 0.115583 -1.165832
C 3.264803 -1.266305 0.996706
C 4.696425 -0.682771 -1.564957
C 4.534581 -2.051015 0.584344
C 5.456134 -1.195467 -0.317434
C -0.077915 1.913483 0.846385
C 1.248958 1.172682 0.755662
C 0.028221 -0.764359 -0.242927
C -0.197459 2.881939 -0.391726
C -1.302956 1.023249 0.933809
C -1.331694 3.920225 -0.251114
C -2.404507 -1.026846 0.078654
C -1.415317 4.841785 -1.487462
C -3.444406 -0.542587 -0.742289
C -2.526105 -2.263244 0.746894
C -4.620701 -1.307416 -0.896610
C -3.701958 -3.026824 0.583753
C -4.751104 -2.550871 -0.236319
H 2.207429 -1.640882 -0.855538
H 3.726140 1.030732 -0.623502
H 2.868867 0.421893 -2.069960
H 2.589005 -1.915392 1.586575
H 3.545408 -0.405584 1.629674
H 5.356891 -0.041918 -2.179836
H 4.408464 -1.547299 -2.198406
H 4.241370 -2.971803 0.038658
H 5.078484 -2.376123 1.491709
H 6.340585 -1.785163 -0.626475
H 5.831290 -0.328147 0.263372
H -0.048504 2.537549 1.755463
H -0.338015 2.285624 -1.315978
H 0.773273 3.405956 -0.484995
H -1.152947 4.528406 0.657363
H -2.299917 3.410157 -0.093331
H -0.467906 5.390723 -1.645003
H -1.624738 4.261813 -2.406229
H -2.221531 5.588107 -1.370136
H -3.337058 0.422342 -1.248372
H -1.709244 -2.626251 1.378563
H -5.431395 -0.933890 -1.531193
H -3.798590 -3.989163 1.097505
H -5.663691 -3.144219 -0.359199


