%chk=000052873.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052873

0 1
 O    2.343400     -0.2776000       1.897100    
 O    6.995600      0.3913000      5.8899999E-02
 O    5.706700      0.3913000      -1.816500    
 C   -2.516800      0.1835000      0.1306000    
 C   -1.603900     -0.8677000      0.3141000    
 C   -3.810200     -0.1022000     -0.3679000    
 C   -1.961000      -2.181800      1.0600000E-02
 C   -2.174400       1.512100      0.4308000    
 C   -4.152600      -1.430700     -0.6680000    
 C  -0.2492000     -0.6629000      0.8235000    
 C    3.325000     -2.1900000E-02 -0.2995000    
 C   -4.723100      0.9492000     -0.5513000    
 C   -3.232900      -2.462700     -0.4795000    
 C    4.680100      0.1463000      0.3843000    
 C   0.8382000     -0.4389000      6.0199998E-02
 C    2.183900     -0.2520000      0.6798000    
 C   -3.094100       2.544100      0.2423000    
 C   -4.366000       2.263200     -0.2478000    
 C    5.811200      0.3174000     -0.6016000    
 H   -1.260000      -3.001700      0.1510000    
 H   -1.194500       1.779900      0.8184000    
 H   -5.141100      -1.673500      -1.052100    
 H  -0.1663000     -0.7070000       1.906800    
 H    3.363400     -0.8774000     -0.9846000    
 H    3.096800      0.8750000     -0.8876000    
 H   -5.722900      0.7528000     -0.9333000    
 H   -3.510700      -3.485900     -0.7154000    
 H    4.658100       1.025300       1.038500    
 H    4.893000     -0.7373000      0.9973000    
 H   0.7717000     -0.3933000      -1.021800    
 H   -2.817400       3.567400      0.4790000    
 H   -5.081600       3.067100     -0.3941000    
 H    7.750700      0.5075000     -0.5565000    


%chk=000052873-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052873

0 1
O 2.364853 1.432367 0.564130
O 7.263184 0.024018 0.464984
O 6.202541 -0.831871 -1.411878
C -2.683646 0.435358 0.044759
C -1.500319 -0.375764 -0.216835
C -3.995584 -0.133696 -0.211913
C -1.674224 -1.687555 -0.711493
C -2.626839 1.778850 0.547325
C -4.105292 -1.470572 -0.712579
C -0.158547 0.162763 0.027264
C 3.605690 -0.563030 -0.121252
C -5.172764 0.647833 0.038051
C -2.960604 -2.234734 -0.958142
C 4.858760 0.127806 0.435379
C 1.048872 -0.466432 -0.150705
C 2.323349 0.232827 0.142992
C -3.790433 2.516696 0.781479
C -5.077791 1.950505 0.526013
C 6.120333 -0.292229 -0.284800
H -0.794866 -2.306885 -0.915834
H -1.662105 2.248849 0.756094
H -5.102517 -1.885539 -0.900987
H -0.073541 1.192101 0.398119
H 3.494268 -1.587024 0.285133
H 3.712828 -0.692796 -1.218870
H -6.152623 0.198742 -0.162981
H -3.049667 -3.256311 -1.342008
H 4.739576 1.225251 0.327753
H 4.984162 -0.045032 1.518044
H 1.124772 -1.498635 -0.514583
H -3.715807 3.540156 1.164731
H -5.980499 2.541244 0.714455
H 8.073579 -0.228362 -0.056145


