%chk=000116894.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116894

0 1
 O    2.002200      0.4225000     -0.7108000    
 O   0.7305000      0.3358000     -6.8999999E-03
 O  -7.5700000E-02  0.3995000      -2.166100    
 C    2.995400      0.4144000      0.3168000    
 C    2.845800     -0.8650000       1.163300    
 C    4.360900      0.5041000     -0.3662000    
 C    2.774900       1.650300       1.194900    
 C    2.986600      -2.163600      0.3771000    
 C   -1.580000      0.2548000     -0.3227000    
 C   -2.153000     -0.9772000     -7.6899998E-02
 C  -0.2409000      0.3412000     -0.9574000    
 C   -2.216400       1.436700      4.8000002E-03
 C   -3.412600      -1.030300      0.5201000    
 C   -1.467500      -2.256600     -0.4311000    
 C   -3.476000       1.383300      0.6018000    
 C   -4.074100      0.1500000      0.8594000    
 H    3.603100     -0.8619000       1.958000    
 H    1.875600     -0.8888000       1.674600    
 H    5.179600      0.4394000      0.3576000    
 H    4.488000     -0.2857000      -1.114200    
 H    4.458400       1.450100     -0.9120000    
 H    3.583100       1.764700       1.925600    
 H    2.730900       2.559800      0.5845000    
 H    1.833500       1.603700       1.753400    
 H    2.809100      -3.019100       1.037100    
 H    3.991800      -2.274800     -3.9400000E-02
 H    2.262000      -2.216900     -0.4410000    
 H   -1.756400       2.400600     -0.1928000    
 H   -3.893300      -1.982600      0.7281000    
 H  -0.5282000      -2.353600      0.1234000    
 H   -2.082200      -3.129900     -0.1873000    
 H   -1.259300      -2.296300      -1.505400    
 H   -3.991100       2.302200      0.8661000    
 H   -5.054800      0.1087000       1.324300    


%chk=000116894-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116894

0 1
O 2.087426 0.673465 -0.711606
O 0.696012 0.687554 -0.071163
O 0.277079 -1.215425 -1.410098
C 3.114300 0.632266 0.395473
C 3.025645 -0.708285 1.168352
C 4.397702 0.767569 -0.454483
C 2.925926 1.840501 1.333285
C 3.251082 -1.977616 0.320960
C -1.538587 -0.109061 -0.165291
C -2.478661 -1.191114 -0.188740
C -0.137717 -0.320239 -0.648309
C -1.934567 1.177225 0.298212
C -3.794421 -0.926517 0.270688
C -2.132045 -2.586289 -0.673335
C -3.249783 1.410897 0.741854
C -4.184350 0.350503 0.729315
H 3.761295 -0.665296 1.996828
H 2.026509 -0.753188 1.644058
H 5.279116 0.645198 0.200332
H 4.437184 -0.001478 -1.242825
H 4.445218 1.761276 -0.930863
H 3.770084 1.902998 2.043927
H 2.886573 2.777610 0.751482
H 1.990484 1.747712 1.910755
H 3.057792 -2.881513 0.927272
H 4.289266 -2.045550 -0.051374
H 2.566342 -1.992672 -0.544864
H -1.201900 1.988689 0.292523
H -4.524919 -1.743751 0.264146
H -1.232958 -2.987044 -0.172602
H -2.974236 -3.275781 -0.492639
H -1.895475 -2.586421 -1.751684
H -3.543611 2.406832 1.089290
H -5.211904 0.516447 1.071826


