%chk=000006608.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006608

0 1
 O   -3.873200      0.1397000      -1.150600    
 C    1.167300      0.8893000     -0.1773000    
 C    2.563900      0.6683000      0.5226000    
 C   0.1924000     -0.2584000      0.2952000    
 C    3.120100     -0.7530000      0.2941000    
 C    2.131200      -1.838600      0.7073000    
 C   0.7995000      -1.631800      3.2800000E-02
 C   0.5892000       2.258900      0.2581000    
 C    1.309000      0.9115000      -1.718200    
 C    3.647300       1.686600      0.1423000    
 C   -1.222300     -0.1200000     -0.2001000    
 C   0.2597000      -2.605000     -0.7199000    
 C   -2.271700      6.4599998E-02  0.6114000    
 C   -3.647500      0.1919000      5.6499999E-02
 C   -4.765000      0.3961000       1.045600    
 H    2.404400      0.7772000       1.605600    
 H   0.1427000     -0.1791000       1.393800    
 H    4.043000     -0.8839000      0.8732000    
 H    3.397000     -0.8870000     -0.7591000    
 H    1.988300      -1.815900       1.794900    
 H    2.557700      -2.820500      0.4694000    
 H   0.4833000       2.313600       1.347200    
 H    1.227100       3.089600     -5.9200000E-02
 H  -0.3954000       2.444400     -0.1841000    
 H    1.719700     -2.3100000E-02  -2.111300    
 H   0.3432000       1.076600      -2.207500    
 H    1.962300       1.725600      -2.049000    
 H    4.558800       1.504400      0.7234000    
 H    3.919200       1.618400     -0.9153000    
 H    3.336800       2.712500      0.3560000    
 H   -1.377600     -0.1701000      -1.275200    
 H  -0.6915000      -2.495700      -1.226800    
 H   0.7684000      -3.554700     -0.8531000    
 H   -2.151500      0.1244000       1.687200    
 H   -5.549100     -0.3424000      0.8570000    
 H   -5.165900       1.406400      0.9310000    
 H   -4.418800      0.2684000       2.074700    


%chk=000006608-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000006608

0 1
O -3.846584 0.115589 -1.251935
C 1.183342 0.885038 -0.174505
C 2.590831 0.690747 0.508152
C 0.228542 -0.281081 0.367513
C 3.188651 -0.711629 0.226871
C 2.233057 -1.846516 0.669034
C 0.838528 -1.664817 0.091826
C 0.581202 2.248385 0.256941
C 1.274297 0.834506 -1.722644
C 3.626741 1.785175 0.156007
C -1.178583 -0.149846 -0.156899
C 0.198784 -2.658035 -0.579463
C -2.290224 0.064877 0.602683
C -3.650841 0.191704 -0.001593
C -4.802169 0.421172 0.972250
H 2.406210 0.752427 1.605448
H 0.203800 -0.150074 1.473384
H 4.153418 -0.809461 0.762606
H 3.414353 -0.811114 -0.853193
H 2.166863 -1.832216 1.778661
H 2.639334 -2.834053 0.382200
H 0.557267 2.345628 1.360216
H 1.171290 3.089893 -0.146527
H -0.452786 2.361310 -0.114051
H 1.551275 -0.169040 -2.090460
H 0.306832 1.103957 -2.183110
H 2.021041 1.558304 -2.094868
H 4.563914 1.607586 0.716332
H 3.882136 1.775290 -0.919747
H 3.273769 2.798335 0.414827
H -1.330574 -0.231644 -1.243990
H -0.816717 -2.545401 -0.973712
H 0.681907 -3.629095 -0.742412
H -2.214941 0.148434 1.696217
H -5.752470 0.509326 0.424314
H -4.630493 1.341698 1.562930
H -4.869002 -0.416162 1.693298


