%chk=000016131.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016131

0 1
 O   -1.071900      0.1776000      0.1034000    
 O   0.9912000      0.3613000       1.789300    
 O   0.1354000       1.835000     -0.9374000    
 N   -4.700600      0.3728000     -0.5135000    
 C    1.302400      0.1478000      0.3975000    
 C   -3.440100     -0.1471000      1.5500000E-02
 C    1.338700      -1.353400      0.1029000    
 C    2.639500      0.8053000      4.7100000E-02
 C   -2.270800      0.7077000     -0.4465000    
 C   8.6400002E-02  0.8419000     -0.2214000    
 C   -5.728400     -0.6675000     -0.5001000    
 C   -5.138900       1.534300      0.2596000    
 C    1.752700      -2.248000       1.090100    
 C    2.851500       1.315200      -1.234000    
 C   0.9576000      -1.827500      -1.152400    
 C    3.646000      0.8950000       1.008800    
 C   -6.024600      -1.128400      0.9169000    
 C   -6.415700       2.125300     -0.3136000    
 C    1.785600      -3.616500      0.8218000    
 C    4.069800       1.914600      -1.553300    
 C   0.9905000      -3.196000      -1.420500    
 C    4.864300       1.494500      0.6893000    
 C   0.8986000       1.742600       2.075600    
 C    1.404500      -4.090500     -0.4333000    
 C    5.076100       2.004300     -0.5918000    
 H   -3.428700     -0.2127000       1.111400    
 H   -3.252800      -1.167100     -0.3476000    
 H   -2.370000       1.744200     -0.1092000    
 H   -2.203700      0.6952000      -1.541400    
 H   -6.646900     -0.3459000      -1.002300    
 H   -5.383100      -1.525600      -1.091500    
 H   -5.251000       1.342300       1.332600    
 H   -4.386000       2.326700      0.1813000    
 H    2.062300      -1.902900       2.072600    
 H    2.117700       1.214400      -2.027200    
 H   0.6424000      -1.150200      -1.941200    
 H    3.515200      0.4903000       2.008500    
 H   -5.149500      -1.517500       1.444700    
 H   -6.501600     -0.3610000       1.532700    
 H   -6.739700      -1.958800      0.8688000    
 H   -6.348300       2.260800      -1.398700    
 H   -7.298500       1.520100     -8.6599998E-02
 H   -6.591700       3.113500      0.1263000    
 H    2.110000      -4.312900       1.589500    
 H    4.240300       2.299300      -2.554500    
 H   0.6964000      -3.565200      -2.398700    
 H    5.649900       1.560200       1.436300    
 H    1.501200       2.426300       1.471400    
 H  -0.1492000       2.060600       2.029700    
 H    1.207600       1.878500       3.117700    
 H    1.431200      -5.155900     -0.6426000    
 H    6.026300       2.467200     -0.8416000    


%chk=000016131-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016131

0 1
O -1.003479 0.346358 0.025669
O 1.467927 0.910905 1.985664
O -0.004275 2.420226 -0.248911
N -4.722983 0.377427 -0.400015
C 1.375452 0.498272 0.549413
C -3.364436 -0.165291 -0.160121
C 1.226463 -1.034505 0.574410
C 2.646154 0.909480 -0.214702
C -2.328671 0.957225 -0.308383
C 0.085228 1.198248 0.031654
C -5.599553 -0.505746 -1.209457
C -5.341926 0.948808 0.823362
C 0.840913 -1.711306 1.755028
C 2.647949 1.651771 -1.419305
C 1.447956 -1.778754 -0.610317
C 3.885614 0.476171 0.327672
C -6.062698 -1.823611 -0.529327
C -6.555072 1.850559 0.530034
C 0.684135 -3.115695 1.750439
C 3.867664 1.948123 -2.073377
C 1.281345 -3.180306 -0.616827
C 5.100564 0.781112 -0.317361
C 1.795391 2.325251 2.243008
C 0.898768 -3.855972 0.565414
C 5.096041 1.517529 -1.526921
H -3.252193 -0.636747 0.843004
H -3.142878 -0.949857 -0.905829
H -2.513425 1.801355 0.379946
H -2.298879 1.348069 -1.339824
H -6.486069 0.077075 -1.520835
H -5.051108 -0.749517 -2.139391
H -5.636361 0.153352 1.553656
H -4.568083 1.557445 1.328791
H 0.675083 -1.132763 2.666982
H 1.708777 2.017948 -1.842485
H 1.760308 -1.264872 -1.526677
H 3.882227 -0.101473 1.258942
H -5.198950 -2.440626 -0.219955
H -6.680955 -1.627214 0.365614
H -6.671365 -2.421550 -1.233129
H -6.282503 2.631144 -0.201975
H -7.410139 1.279806 0.125401
H -6.895812 2.342451 1.459562
H 0.391838 -3.631317 2.672574
H 3.854123 2.523199 -3.006108
H 1.456419 -3.744552 -1.539979
H 6.048042 0.440959 0.115532
H 2.775258 2.595805 1.808128
H 1.020118 3.002860 1.841464
H 1.837513 2.400192 3.341219
H 0.775472 -4.945098 0.563363
H 6.038670 1.751849 -2.034334


