%chk=000085657.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085657

0 1
 O   -1.733900      -2.822900     -0.5520000    
 O    3.628000     -0.3112000     -0.2479000    
 O  -0.2776000      -3.849500      0.8886000    
 O   -2.997800      -1.249400      -1.624800    
 O    3.516900      0.3251000       1.945600    
 O    3.237600     -0.5190000      -2.492200    
 C   0.6360000      0.6441000      0.8970000    
 C  -0.7257000      -1.471200       1.059700    
 C   0.5578000     -0.8441000      0.5317000    
 C   -1.976000     -0.7775000      0.5446000    
 C    1.944500       1.211000      0.3285000    
 C  -0.6177000       1.388600      0.4588000    
 C   -1.845300      0.7071000      0.3098000    
 C    2.024000       1.105600      -1.181100    
 C  -0.8756000      -2.856300      0.5060000    
 C   -2.297300      -1.585800     -0.6835000    
 C    3.110000      0.3918000      0.7956000    
 C  -0.5989000       2.783900      0.2750000    
 C   -3.002100       1.433200     -3.3900000E-02
 C    3.000400      8.9999998E-04  -1.412900    
 C   -1.752500       3.485600     -7.8100003E-02
 C   -2.954700       2.810000     -0.2346000    
 H   0.6738000      0.7203000       1.993300    
 H  -0.7328000      -1.503400       2.155100    
 H   0.5994000      -1.001000     -0.5533000    
 H    1.396400      -1.408200      0.9571000    
 H   -2.792900     -0.9505000       1.259300    
 H    2.120300       2.245000      0.6427000    
 H    2.447600       2.023000      -1.604600    
 H    1.074200      0.8938000      -1.677400    
 H   0.3116000       3.358400      0.4164000    
 H   -3.956700      0.9224000     -0.1396000    
 H   -1.710800       4.561800     -0.2186000    
 H   -3.856200       3.353400     -0.5005000    


%chk=000085657-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085657

0 1
O -2.109075 -2.953530 -0.362122
O 4.091047 0.103269 -0.253163
O -0.483021 -4.015486 0.942442
O -3.518835 -1.352423 -1.306372
O 3.383859 -0.096219 1.962590
O 4.188368 0.579623 -2.539756
C 0.618583 0.519245 0.843597
C -0.823693 -1.542490 1.124571
C 0.457106 -0.971843 0.461526
C -2.089123 -0.767528 0.689555
C 1.953541 1.114501 0.305907
C -0.616612 1.330395 0.420119
C -1.894704 0.703917 0.337446
C 2.143488 1.174010 -1.226155
C -1.060191 -2.971899 0.640170
C -2.677624 -1.628889 -0.451981
C 3.162084 0.319323 0.822558
C -0.533176 2.719083 0.139843
C -3.033448 1.462482 -0.030932
C 3.543672 0.626633 -1.493880
C -1.670007 3.471292 -0.220490
C -2.929203 2.838736 -0.313162
H 0.703505 0.559908 1.951194
H -0.682450 -1.546554 2.218784
H 0.388221 -1.086679 -0.638063
H 1.323641 -1.558837 0.812863
H -2.844065 -0.834263 1.501700
H 2.073331 2.126764 0.739037
H 2.062151 2.188090 -1.649004
H 1.413867 0.550343 -1.772578
H 0.429368 3.237296 0.206450
H -4.005795 0.964676 -0.105600
H -1.572535 4.542180 -0.428197
H -3.818275 3.409873 -0.599098


