%chk=000085213.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085213

0 1
 O   -2.418800       1.862800      0.1617000    
 O   -3.467200     -0.6980000      0.4258000    
 O    4.111400     -0.3694000     -0.2862000    
 O    2.579700      0.4550000       1.228800    
 C   0.5006000     -0.1710000     -0.6773000    
 C    1.926500      1.3400000E-02  -1.072900    
 C  -0.3066000      0.9413000     -0.4385000    
 C   -1.640100      0.7687000     -6.7599997E-02
 C  -2.5800001E-02  -1.455900     -0.5450000    
 C   -2.166400     -0.5163000      6.4599998E-02
 C   -1.359300      -1.628600     -0.1740000    
 C    2.878700      7.1900003E-02  0.1057000    
 C   -1.804100       3.140100      4.8000002E-03
 C   -3.926600      -2.043500      0.5387000    
 C    5.117900     -0.3705000      0.7315000    
 H    2.223900     -0.8140000      -1.729900    
 H    2.052900      0.9342000      -1.654700    
 H   0.1580000       1.914800     -0.5546000    
 H   0.5941000      -2.330200     -0.7261000    
 H   -1.699400      -2.655000     -9.0200000E-02
 H   -1.481800       3.309200      -1.028300    
 H  -0.9928000       3.289300      0.7255000    
 H   -2.567100       3.893800      0.2261000    
 H   -3.397400      -2.585700       1.329700    
 H   -3.887100      -2.565600     -0.4234000    
 H   -4.980400      -2.000400      0.8335000    
 H    5.285900      0.6464000       1.099000    
 H    6.046700     -0.7423000      0.2907000    
 H    4.827300      -1.035100       1.550600    


%chk=000085213-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085213

0 1
O -2.218026 1.724692 0.459032
O -3.380323 -0.653968 0.542409
O 3.827981 -0.585199 0.080625
O 2.960831 1.572222 -0.044434
C 0.592973 -0.372141 -0.928998
C 2.017602 -0.223295 -1.466744
C -0.125331 0.771821 -0.488371
C -1.442344 0.655304 -0.000627
C -0.026037 -1.635168 -0.871941
C -2.070343 -0.633151 0.048519
C -1.351797 -1.765352 -0.388580
C 2.955044 0.378920 -0.427867
C -1.604067 3.054846 0.427424
C -4.044845 -1.956410 0.608924
C 4.755698 -0.115184 1.140043
H 2.410148 -1.201727 -1.784473
H 2.023161 0.457539 -2.338969
H 0.371348 1.746622 -0.515079
H 0.517931 -2.527235 -1.201569
H -1.813348 -2.756563 -0.356095
H -1.342542 3.353765 -0.606518
H -0.698235 3.096886 1.062927
H -2.373193 3.731432 0.827517
H -3.504344 -2.652506 1.280378
H -4.142513 -2.412763 -0.395931
H -5.043077 -1.744918 1.019147
H 5.380811 0.711256 0.762338
H 5.365259 -0.994868 1.388806
H 4.184278 0.234542 2.016108


