%chk=000015169.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015169

0 1
 O   -1.243600      0.4098000      0.9469000    
 O   -2.470500      -1.792400      0.2653000    
 O   -2.220800       2.607200     -0.6802000    
 O   -2.771600      -4.009200     -0.3107000    
 O   -3.275100       2.909600       1.387700    
 N    3.901300     -0.5901000      0.7253000    
 C    1.000900     -0.5281000      0.8279000    
 C    1.781200      -1.668100      0.1556000    
 C    3.086700      -1.038200     -0.4300000    
 C  -0.4649000     -0.8034000       1.237200    
 C    1.842400      5.7500001E-02   1.978900    
 C   0.7281000      0.5235000     -0.1963000    
 C    2.797300      6.8400003E-02  -1.501900    
 C    3.261800      0.4504000       1.536800    
 C    1.552600      0.8760000      -1.249500    
 C   -1.098400      -2.045400      0.5576000    
 C   0.9326000      -2.404300     -0.8494000    
 C  -0.5331000       1.050600     -3.1800002E-02
 C  -0.3877000      -2.555700     -0.6677000    
 C    5.266400     -0.2211000      0.3652000    
 C    1.109800       1.898700      -2.090100    
 C  -0.9884000       2.066500     -0.8431000    
 C  -0.1451000       2.502500      -1.873100    
 C   -3.192900      -2.870100     -0.1614000    
 C   -4.608700      -2.457300     -0.4282000    
 C   -2.422400       3.224000      0.5680000    
 C   -1.437500       4.338800      0.7609000    
 H    2.069500      -2.416300      0.9095000    
 H    3.650000      -1.839300     -0.9284000    
 H  -0.5414000     -0.9459000       2.323000    
 H    1.919000     -0.6941000       2.776300    
 H    1.354800      0.9350000       2.423100    
 H    2.659900     -0.4396000      -2.466100    
 H    3.652000      0.7401000      -1.628300    
 H    3.232300       1.405600      0.9979000    
 H    3.855900      0.6276000       2.442100    
 H   -1.059700      -2.860400       1.295400    
 H    1.408500      -2.839300      -1.723000    
 H  -0.9189000      -3.103600      -1.438600    
 H    5.319800      0.7101000     -0.2075000    
 H    5.744700      -1.015500     -0.2181000    
 H    5.873100     -9.2200004E-02   1.268700    
 H    1.716100       2.218200      -2.933400    
 H  -0.4731000       3.293700      -2.543200    
 H   -4.630300      -1.691200      -1.207300    
 H   -5.065400      -2.084300      0.4919000    
 H   -5.179900      -3.323100     -0.7751000    
 H  -0.4854000       3.955700       1.134700    
 H   -1.844900       5.041300       1.494800    
 H   -1.296100       4.895500     -0.1698000    


%chk=000015169-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015169

0 1
O -1.152816 0.189967 0.838965
O -2.271234 -1.829403 -0.442436
O -2.311861 2.373815 -0.940993
O -3.181664 -2.045498 1.690578
O -4.231221 2.817795 0.208374
N 4.017818 -0.529265 0.677106
C 1.114192 -0.682370 0.668433
C 2.000250 -1.743516 -0.037154
C 3.284242 -1.001568 -0.533384
C -0.350162 -1.088194 1.029849
C 1.883880 -0.153794 1.915247
C 0.847133 0.437340 -0.326364
C 2.977315 0.109954 -1.605285
C 3.254947 0.427052 1.516591
C 1.685518 0.876005 -1.354686
C -0.952158 -2.230771 0.128220
C 1.232336 -2.465521 -1.120749
C -0.456651 0.916948 -0.151817
C -0.107562 -2.660532 -1.047265
C 5.397920 -0.084338 0.417862
C 1.192374 1.931376 -2.173108
C -0.955446 1.957858 -0.951959
C -0.098167 2.469273 -1.960929
C -3.317943 -1.716982 0.489853
C -4.552740 -1.146561 -0.161361
C -2.992226 2.756916 0.260376
C -2.134490 3.082432 1.466553
H 2.361092 -2.474889 0.716234
H 3.943230 -1.749878 -1.017641
H -0.492421 -1.338616 2.091236
H 2.032198 -0.994382 2.620580
H 1.289228 0.624404 2.430455
H 2.904405 -0.372202 -2.601708
H 3.844857 0.796402 -1.668185
H 3.109006 1.410142 1.004430
H 3.848559 0.626602 2.428716
H -1.146230 -3.094240 0.798546
H 1.795113 -2.864005 -1.976136
H -0.647849 -3.206988 -1.829366
H 5.474961 0.886870 -0.132577
H 5.931917 -0.851761 -0.171165
H 5.929807 0.038335 1.379069
H 1.801187 2.316976 -2.998821
H -0.489107 3.259134 -2.610427
H -4.646106 -1.491818 -1.203013
H -4.474360 -0.043231 -0.182449
H -5.444695 -1.421131 0.421295
H -1.832802 2.143910 1.966223
H -2.733650 3.680870 2.168569
H -1.219028 3.629180 1.184116


