%chk=000017046.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017046

0 1
 O    6.536500      0.3767000     -0.4333000    
 O   -6.538700     -0.4096000     -0.3951000    
 O    3.050900     -0.1655000      0.2867000    
 O   -3.049600      0.1872000      0.2618000    
 C    5.429000     -0.1647000      0.2980000    
 C   -5.427500      0.1875000      0.2857000    
 C    5.947500     -0.8254000     -0.9461000    
 C   -5.952800      0.7484000      -1.003800    
 C    4.197700      0.6740000      0.2702000    
 C   -4.196100     -0.6509000      0.3175000    
 C   0.6648000     -0.3642000      0.2595000    
 C  -0.6631000      0.3848000      0.2481000    
 C    1.849000      0.5919000      0.2610000    
 C   -1.847700     -0.5702000      0.2897000    
 H    5.621500     -0.6305000       1.254500    
 H   -5.615200      0.7271000       1.203600    
 H    5.367900     -0.7505000      -1.856900    
 H    6.511900      -1.742600     -0.8391000    
 H   -6.516900       1.671200     -0.9664000    
 H   -5.377900      0.6021000      -1.909000    
 H    4.175700       1.302900     -0.6283000    
 H    4.188500       1.328000       1.149700    
 H   -4.178300      -1.348600     -0.5287000    
 H   -4.182600      -1.233500       1.245800    
 H   0.7342000      -1.029100     -0.6105000    
 H   0.7255000      -1.015700       1.140300    
 H  -0.7213000       1.069500       1.103500    
 H  -0.7350000       1.015900     -0.6465000    
 H    1.807500       1.241400       1.143200    
 H    1.826400       1.216700     -0.6396000    
 H   -1.818600      -1.242600     -0.5757000    
 H   -1.812800      -1.171300       1.205900    


%chk=000017046-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017046

0 1
O 6.812889 0.341437 -0.053260
O -6.812333 -0.349276 -0.026356
O 3.094064 -0.191969 0.244925
O -3.093534 0.210000 0.228805
C 5.488343 -0.286521 0.319928
C -5.488079 0.305198 0.299173
C 6.212275 -0.760175 -0.899694
C -6.216832 0.693618 -0.947427
C 4.300005 0.644500 0.214452
C -4.298159 -0.628590 0.253963
C 0.678052 -0.360880 0.263950
C -0.677239 0.382036 0.238243
C 1.862297 0.608942 0.233466
C -1.860854 -0.588511 0.270166
H 5.523635 -0.905826 1.225108
H -5.521816 0.984354 1.160403
H 5.857633 -0.438684 -1.887078
H 6.756162 -1.711690 -0.870798
H -6.762838 1.643764 -0.981419
H -5.864804 0.306634 -1.912003
H 4.355032 1.230362 -0.728951
H 4.295646 1.360296 1.066366
H -4.352443 -1.275342 -0.648828
H -4.292063 -1.286922 1.151060
H 0.759632 -1.043789 -0.603782
H 0.757871 -0.986516 1.173993
H -0.758613 1.066724 1.104573
H -0.757668 1.005669 -0.673126
H 1.841900 1.285636 1.118021
H 1.829410 1.242077 -0.682425
H -1.826579 -1.279794 -0.602579
H -1.840590 -1.206361 1.196830


