%chk=000021015.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021015

0 1
 O    2.636400       3.140100      0.4541000    
 O   0.9326000       2.113300       1.547300    
 C   -2.103800       1.838700     -0.6482000    
 C   -1.210200       3.074000     -0.7910000    
 C   -3.439300       2.128400      4.4000000E-02
 C   0.1186000       2.856500      -1.525300    
 C   -4.353900      0.8987000      0.1081000    
 C    1.078000       1.879200     -0.8510000    
 C   -3.720400     -0.2483000      0.8429000    
 C   -3.458000      -1.477800      0.3732000    
 C    1.521500       2.370600      0.5047000    
 C   -2.825000      -2.622700       1.108200    
 C   -1.547500      -3.154600      0.5170000    
 C    3.736300      -1.455200     -0.3991000    
 C    3.982300     -0.7708000      0.9473000    
 C   0.3763000      -3.339300      -1.076200    
 C  -0.9047000      -2.729600     -0.5829000    
 C    2.615400      -2.454900     -0.3704000    
 C    1.497400      -2.341400      -1.103600    
 C    5.067800      0.2952000      0.9010000    
 H   -1.559100       1.075900     -8.1900001E-02
 H   -2.295100       1.421300      -1.644500    
 H   -1.017900       3.498100      0.2017000    
 H   -1.770400       3.841400      -1.340800    
 H   -3.964200       2.926800     -0.4942000    
 H   -3.249600       2.501400       1.058300    
 H   0.6142000       3.829600      -1.632600    
 H  -9.2100002E-02   2.497200      -2.539800    
 H   -5.284500       1.170800      0.6196000    
 H   -4.627700      0.5950000     -0.9096000    
 H    1.968600       1.735400      -1.474500    
 H   0.6329000      0.8862000     -0.7322000    
 H   -3.447700     -3.7400000E-02   1.876000    
 H   -3.753300      -1.689800     -0.6539000    
 H   -2.622500      -2.332500       2.146500    
 H   -3.550600      -3.444000       1.148400    
 H    4.650300      -1.974400     -0.7126000    
 H    3.540800     -0.6881000      -1.159100    
 H   -1.110800      -3.982500       1.073800    
 H    3.051700     -0.3065000       1.296300    
 H    4.256800      -1.523800       1.696400    
 H   0.2151000      -3.707700      -2.096400    
 H   0.6505000      -4.214000     -0.4737000    
 H   -1.306200      -1.909100      -1.171400    
 H    2.739500      -3.309600      0.2896000    
 H    1.380600      -1.488500      -1.768300    
 H    4.810900       1.083000      0.1860000    
 H    5.192000      0.7550000       1.886200    
 H    6.027100     -0.1395000      0.6028000    
 H    2.907000       3.451800       1.344000    


%chk=000021015-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021015

0 1
O 2.882635 3.071793 0.189048
O 1.084701 2.387694 1.487262
C -2.130834 1.850294 -0.737927
C -1.233865 3.107245 -0.791506
C -3.451673 2.093571 0.026294
C 0.078647 2.910676 -1.588522
C -4.366636 0.838646 0.095892
C 1.094513 1.913006 -0.945451
C -3.734433 -0.309064 0.857064
C -3.548819 -1.567209 0.379664
C 1.635227 2.439655 0.364276
C -2.912354 -2.702033 1.154724
C -1.637323 -3.268707 0.540994
C 3.739173 -1.356898 -0.370952
C 3.999292 -0.771631 1.044889
C 0.345029 -3.313113 -1.064338
C -0.941827 -2.733200 -0.494809
C 2.630988 -2.389201 -0.383065
C 1.472978 -2.292439 -1.086421
C 5.164353 0.241343 1.061003
H -1.590742 1.016509 -0.249395
H -2.362558 1.516454 -1.772177
H -1.001248 3.430771 0.242128
H -1.803341 3.935471 -1.261119
H -4.010760 2.922316 -0.454584
H -3.216148 2.429019 1.057553
H 0.585158 3.885298 -1.730090
H -0.161621 2.527678 -2.600329
H -5.317875 1.128639 0.590100
H -4.627521 0.508821 -0.929756
H 1.934819 1.747446 -1.639963
H 0.599257 0.947145 -0.746623
H -3.392176 -0.075025 1.879077
H -3.875727 -1.803742 -0.645352
H -2.692468 -2.366808 2.190100
H -3.641662 -3.535069 1.259991
H 4.684273 -1.813613 -0.735285
H 3.495655 -0.532709 -1.071066
H -1.257757 -4.189943 1.011860
H 3.071975 -0.290330 1.412511
H 4.216435 -1.603296 1.745525
H 0.155692 -3.661207 -2.103560
H 0.649680 -4.201617 -0.479148
H -1.306577 -1.805685 -0.962139
H 2.788924 -3.273564 0.256417
H 1.308357 -1.404552 -1.719564
H 4.951263 1.097405 0.393284
H 5.338062 0.636997 2.078987
H 6.104990 -0.229873 0.717451
H 3.189968 3.428238 1.067250


