%chk=000052265.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052265

0 1
 O   0.3456000      0.3578000      0.2334000    
 O  -0.8225000     -0.1127000      -1.693500    
 O   -3.497900     -0.1215000      -1.106000    
 N    2.911200       1.635200     -8.1400000E-02
 C    2.771500      0.2311000      0.3031000    
 C    1.474400     -0.3622000     -0.2603000    
 C    3.781900       2.338700      0.8597000    
 C    3.436500       1.742700      -1.442000    
 C    1.315200      -1.815600      0.1287000    
 C    5.185600       1.757500      0.8486000    
 C    3.530700       3.194000      -1.881100    
 C    1.829500      -2.818200     -0.6936000    
 C   0.6544000      -2.153200       1.310000    
 C  -0.7356000      0.4015000     -0.5892000    
 C    1.682900      -4.158100     -0.3349000    
 C   0.5081000      -3.493300       1.668700    
 C   -1.835900       1.177300      3.6699999E-02
 C    1.022300      -4.495700      0.8462000    
 C   -3.170000      0.8843000     -0.2469000    
 C   -1.521300       2.211900      0.9179000    
 C   -4.189200       1.625900      0.3509000    
 C   -2.540500       2.953500       1.515300    
 C   -3.874300       2.660600       1.231900    
 C   -4.294000      -1.183900     -0.5855000    
 C   -3.968500      -2.457500      -1.336300    
 H    3.630700     -0.3769000     -9.3999999E-03
 H    2.709600      0.1565000       1.398100    
 H    1.502500     -0.3057000      -1.355600    
 H    3.808600       3.416700      0.6688000    
 H    3.366000       2.254900       1.872300    
 H    4.393800       1.231800      -1.595000    
 H    2.735300       1.264900      -2.136100    
 H    5.221200      0.6905000       1.085200    
 H    5.720200       1.933200     -8.9000002E-02
 H    5.774800       2.258200       1.626500    
 H    2.604900       3.741400      -1.671900    
 H    4.367400       3.721800      -1.413700    
 H    3.696700       3.239200      -2.963400    
 H    2.348000      -2.567900      -1.615300    
 H   0.2565000      -1.393000       1.976500    
 H    2.083900      -4.938700     -0.9749000    
 H  -3.5000001E-03  -3.756400       2.589900    
 H   0.9089000      -5.539000       1.125900    
 H  -0.4918000       2.473500       1.148300    
 H   -5.232900       1.415900      0.1333000    
 H   -2.295700       3.761500       2.198600    
 H   -4.667600       3.239900       1.695000    
 H   -4.097100      -1.335800      0.4831000    
 H   -5.352100     -0.9342000     -0.7184000    
 H   -4.571700      -3.292800     -0.9701000    
 H   -2.908900      -2.710400      -1.223300    
 H   -4.152700      -2.331400      -2.408300    


%chk=000052265-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052265

0 1
O 0.386791 -0.606891 0.651531
O -0.436708 -0.099698 -1.481340
O -3.192901 0.362323 -1.201629
N 2.431527 1.201529 -0.341153
C 2.753769 -0.106699 0.247947
C 1.621195 -1.159500 0.046124
C 2.968046 2.359630 0.412513
C 2.590673 1.248147 -1.815856
C 1.963316 -2.475701 0.723158
C 4.509321 2.551577 0.365824
C 1.943606 2.487316 -2.460228
C 2.806986 -3.398529 0.054423
C 1.508558 -2.780100 2.029866
C -0.526448 0.006487 -0.237159
C 3.195024 -4.603320 0.681792
C 1.891874 -3.987650 2.655666
C -1.566230 0.749720 0.534054
C 2.739254 -4.901542 1.987010
C -2.885471 0.960472 0.016792
C -1.233041 1.301002 1.797541
C -3.819135 1.726204 0.764508
C -2.159491 2.062473 2.537699
C -3.453611 2.273779 2.011866
C -4.546560 0.556362 -1.764672
C -4.571395 -0.197404 -3.091221
H 3.695390 -0.556792 -0.155198
H 2.898794 0.016238 1.337711
H 1.428479 -1.312867 -1.032308
H 2.475419 3.275247 0.037649
H 2.647336 2.245341 1.466180
H 3.666302 1.179682 -2.119918
H 2.082542 0.356742 -2.225853
H 5.037685 1.666452 0.765953
H 4.864760 2.725423 -0.666335
H 4.804151 3.426510 0.975194
H 0.881347 2.548641 -2.166897
H 2.448309 3.427531 -2.172247
H 1.994268 2.405586 -3.561365
H 3.150222 -3.181592 -0.965169
H 0.839008 -2.078070 2.535963
H 3.843236 -5.310329 0.151644
H 1.526633 -4.217467 3.663209
H 3.034594 -5.838210 2.473171
H -0.222324 1.127121 2.176076
H -4.829577 1.893176 0.382119
H -1.876653 2.487078 3.505962
H -4.186425 2.865123 2.572612
H -5.302705 0.158164 -1.056777
H -4.731500 1.640196 -1.912161
H -5.558958 -0.083144 -3.574537
H -4.378322 -1.271508 -2.931437
H -3.795861 0.193541 -3.770795


