%chk=000104310.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104310

0 1
 O    3.054800     -0.1896000      0.4942000    
 O   -3.519900       1.578700      0.5514000    
 O   -4.553100     -0.6655000     -0.7213000    
 O    1.469600      0.3093000      -1.105500    
 C  -0.6094000     -0.6332000      0.5760000    
 C   0.8074000     -0.6256000       1.040900    
 C    4.087000      0.2671000     -0.3857000    
 C    5.430500      0.1126000      0.3105000    
 C   -1.415900      0.4866000      0.7797000    
 C   -1.128500      -1.759700     -6.1999999E-02
 C   -2.741300      0.4799000      0.3453000    
 C    1.782800     -0.1104000      3.0000001E-04
 C   -3.260500     -0.6467000     -0.2925000    
 C   -2.454000      -1.766500     -0.4962000    
 C    6.576900      0.5932000     -0.5611000    
 C   -3.526400       2.569900     -0.4740000    
 H   0.9017000     -8.9999998E-04   1.937500    
 H    1.109000      -1.642400       1.321100    
 H    3.909800       1.320300     -0.6338000    
 H    4.068300     -0.3289000      -1.305600    
 H    5.421800      0.6704000       1.254600    
 H    5.584500     -0.9383000      0.5833000    
 H   -1.016300       1.368000       1.275600    
 H  -0.5099000      -2.637800     -0.2286000    
 H   -2.845400      -2.650600     -0.9924000    
 H    6.461700       1.652500     -0.8120000    
 H    7.529500      0.4702000     -3.6699999E-02
 H    6.626400      2.2299999E-02  -1.493800    
 H   -4.735800      -1.524500      -1.139400    
 H   -3.894200       2.149000      -1.415100    
 H   -2.522400       2.983100     -0.6140000    
 H   -4.196900       3.376900     -0.1662000    


%chk=000104310-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104310

0 1
O 3.182074 -0.262092 0.474508
O -3.242742 1.863341 0.549830
O -4.637165 -0.363507 -0.638582
O 1.636247 0.304816 -1.175258
C -0.552741 -0.700098 0.516167
C 0.899224 -0.797701 0.943557
C 4.276249 0.284333 -0.384034
C 5.586693 0.097023 0.381485
C -1.267358 0.510498 0.672580
C -1.215605 -1.805404 -0.066084
C -2.614452 0.638073 0.272661
C 1.887463 -0.187952 -0.055375
C -3.274452 -0.491446 -0.293799
C -2.564166 -1.699324 -0.469124
C 6.789319 0.631173 -0.428700
C -4.016890 2.501165 -0.536722
H 1.071615 -0.297288 1.915027
H 1.199547 -1.851815 1.093213
H 4.061251 1.349286 -0.591574
H 4.273336 -0.259599 -1.347211
H 5.517635 0.621914 1.352564
H 5.724851 -0.977244 0.605630
H -0.791143 1.395994 1.107499
H -0.682021 -2.751641 -0.210032
H -3.073980 -2.567048 -0.909564
H 6.680406 1.709996 -0.647021
H 7.730546 0.495049 0.132481
H 6.892500 0.100324 -1.393550
H -4.985077 -1.224578 -0.979480
H -4.869413 1.871990 -0.839019
H -3.362833 2.698037 -1.408074
H -4.367119 3.453123 -0.109498


