%chk=000006448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006448

0 1
 O   -1.659100      0.5736000     -0.1741000    
 O   -2.955000      -1.333600     -0.3152000    
 C   0.8004000      0.6872000     -0.4352000    
 C    1.910400     -0.3863000     -0.2211000    
 C    1.211900     -0.9076000       1.063200    
 C  -0.4959000     -0.1774000     -0.4755000    
 C   0.8111000       1.464900      0.9114000    
 C  -0.2199000      -1.255500      0.5891000    
 C    1.083200      0.3565000       1.942400    
 C   0.9447000       1.602000      -1.636800    
 C    2.038100      -1.440300      -1.339800    
 C    3.332700      0.1607000      1.3100000E-02
 C   -2.832200     -0.1313000     -0.1243000    
 C   -3.970400      0.7871000      0.2031000    
 H    1.711100      -1.736800       1.570000    
 H  -0.6286000     -0.6270000      -1.467400    
 H  -0.1293000       1.985700       1.118000    
 H    1.602700       2.222100      0.9413000    
 H  -0.2398000      -2.254300      0.1396000    
 H  -0.9287000      -1.253800       1.423700    
 H    2.007400      0.5568000       2.494600    
 H   0.2742000      0.2773000       2.676100    
 H    1.877100       2.174000      -1.592600    
 H   0.9457000       1.033300      -2.572300    
 H   0.1176000       2.318400      -1.683900    
 H    2.724500      -2.238000      -1.032600    
 H    1.102400      -1.927900      -1.619500    
 H    2.442700     -0.9875000      -2.252200    
 H    3.398300      0.9454000      0.7695000    
 H    4.002000     -0.6450000      0.3364000    
 H    3.741700      0.5820000     -0.9123000    
 H   -4.064200       1.551200     -0.5727000    
 H   -3.804100       1.248000       1.179900    
 H   -4.900500      0.2129000      0.2420000    


%chk=000006448-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006448

0 1
O -1.688622 0.509292 0.022983
O -3.039407 -1.120231 -0.966218
C 0.768506 0.660380 -0.376942
C 1.935045 -0.408349 -0.200329
C 1.349788 -0.955358 1.155091
C -0.469106 -0.283324 -0.325022
C 0.821611 1.424767 0.989125
C -0.107692 -1.345967 0.762569
C 1.256910 0.330643 2.028816
C 0.809887 1.565224 -1.610784
C 2.019554 -1.472357 -1.325271
C 3.341347 0.224982 -0.073419
C -2.919535 -0.026883 -0.367119
C -4.048347 0.898156 0.039681
H 1.923221 -1.776897 1.617671
H -0.672006 -0.751561 -1.303843
H -0.160525 1.865004 1.225950
H 1.550249 2.253486 0.934596
H -0.184269 -2.369663 0.359487
H -0.794783 -1.276774 1.624353
H 2.228999 0.574297 2.493663
H 0.523457 0.211751 2.846375
H 1.725824 2.184686 -1.620845
H 0.782701 0.979390 -2.549197
H -0.057598 2.250887 -1.619753
H 2.822262 -2.198543 -1.096350
H 1.089569 -2.046616 -1.469658
H 2.273457 -0.996005 -2.291418
H 3.388161 1.051027 0.654637
H 4.074951 -0.541567 0.241331
H 3.677111 0.620526 -1.050639
H -3.907232 1.894282 -0.414209
H -4.051781 1.033965 1.135193
H -5.009508 0.474151 -0.284605


