%chk=000056501.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056501

0 1
 O  -0.4959000     -0.6236000      0.1941000    
 O  -0.3672000     -0.2046000       2.455400    
 O    2.248400      0.1919000       2.359900    
 N   -3.737100     -0.3998000      -1.297400    
 C   -2.585900      0.3655000      0.9046000    
 C   -1.891300     -0.8797000      0.3198000    
 C   -2.499400      -1.194400      -1.067400    
 C   -2.571700       1.487400     -0.1498000    
 C   -4.051500     -1.5699999E-02   1.155600    
 C   -3.344800       1.026900      -1.397600    
 C   -4.669500     -0.5331000     -0.1537000    
 C   -2.746300      -2.695700      -1.243800    
 C   0.1584000     -0.2919000       1.351700    
 C    1.643000     -4.7899999E-02   1.086200    
 C    1.822900       1.201500      0.2260000    
 C    2.267000      -1.263800      0.5245000    
 C    2.523600       1.096100     -0.9549000    
 C    1.277400       2.388800      0.6617000    
 C    2.772000      -2.255500      7.1900003E-02
 C    2.687700       2.236900      -1.740600    
 C    1.441500       3.529500     -0.1242000    
 C    2.146700       3.453500      -1.325300    
 C    3.395100      -3.462100     -0.4843000    
 C    4.576900      -3.110100      -1.372100    
 H   -2.174000      0.7642000       1.829900    
 H   -2.024200      -1.733000      0.9987000    
 H   -1.776000     -0.9285000      -1.851600    
 H   -1.543000       1.748000     -0.4207000    
 H   -3.037400       2.392800      0.2573000    
 H   -4.611600      0.8563000       1.514200    
 H   -4.117100     -0.7871000       1.931900    
 H   -4.237700       1.649000      -1.539900    
 H   -2.733700       1.184500      -2.295100    
 H   -4.988200      -1.574900     -3.5700001E-02
 H   -5.592400      2.0900000E-02 -0.3686000    
 H   -3.194300      -2.904400      -2.221400    
 H   -1.798700      -3.243100      -1.189800    
 H   -3.406300      -3.104700     -0.4725000    
 H    1.896700       1.014500       2.738300    
 H    2.963900      0.1787000      -1.325900    
 H   0.7200000       2.467000       1.589700    
 H    3.236400       2.178600      -2.676300    
 H    1.018400       4.476500      0.1979000    
 H    2.273700       4.341500      -1.937400    
 H    2.657800      -4.025700      -1.066500    
 H    3.732200      -4.114500      0.3287000    
 H    5.030500      -4.019000      -1.779800    
 H    4.266700      -2.478100      -2.211500    
 H    5.345700      -2.567800     -0.8108000    


%chk=000056501-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056501

0 1
O -0.487462 -0.419503 0.338028
O -0.180506 -0.503471 2.650324
O 2.411001 0.170313 2.499605
N -3.634465 -0.633726 -1.398100
C -2.739386 0.623302 0.698235
C -1.965306 -0.694557 0.474059
C -2.424090 -1.349819 -0.870950
C -2.620286 1.532844 -0.553040
C -4.228237 0.228270 0.913434
C -3.239677 0.762366 -1.775912
C -4.711038 -0.561170 -0.360006
C -2.639264 -2.866898 -0.750903
C 0.254963 -0.341806 1.482350
C 1.774158 -0.050504 1.195939
C 1.903147 1.246937 0.370772
C 2.341699 -1.237781 0.521855
C 1.977681 1.215840 -1.040959
C 1.892672 2.490702 1.045404
C 2.830073 -2.246401 0.005559
C 2.037063 2.421590 -1.774538
C 1.953267 3.695374 0.310268
C 2.022463 3.665758 -1.102023
C 3.437759 -3.438150 -0.613047
C 4.509206 -3.091063 -1.681287
H -2.347690 1.135146 1.594510
H -2.092672 -1.364110 1.345911
H -1.617301 -1.169141 -1.607421
H -1.560216 1.785844 -0.734803
H -3.158170 2.480517 -0.365068
H -4.824783 1.146781 1.066982
H -4.333647 -0.384827 1.828998
H -4.143982 1.272229 -2.154641
H -2.519496 0.699644 -2.611202
H -5.017110 -1.589058 -0.100331
H -5.585390 -0.070952 -0.823442
H -2.938782 -3.286877 -1.725975
H -1.702289 -3.355814 -0.426871
H -3.421726 -3.119890 -0.011985
H 1.831362 -0.269724 3.183529
H 1.994339 0.251335 -1.559080
H 1.869730 2.500350 2.138984
H 2.100183 2.390642 -2.868243
H 1.954329 4.655116 0.839284
H 2.072382 4.600768 -1.671588
H 2.643189 -4.058745 -1.073020
H 3.896335 -4.060166 0.180929
H 4.938675 -4.015931 -2.106396
H 4.068155 -2.501844 -2.503982
H 5.326539 -2.497940 -1.236747


