%chk=000097786.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097786

0 1
 O    3.215300       2.157000       1.005400    
 O    4.123500       1.705200      -1.180600    
 O   -2.953600       1.919300       1.346500    
 O   -4.224100       1.920700     -0.7012000    
 O    1.257100      -3.262500       1.251700    
 O  -0.8907000      -3.406500     -0.2729000    
 C   0.5881000      -2.023200       1.037900    
 C    1.546300      -1.037900      0.4082000    
 C   -1.614600      -1.186000     -7.7100001E-02
 C  -0.6783000      -2.267000      0.1883000    
 C    1.885200      0.1123000       1.106000    
 C    2.763000      0.9811000      0.4906000    
 C    3.281500      0.7233000     -0.7577000    
 C    2.063800      -1.314100     -0.8590000    
 C   -2.669900      0.8445000      0.5615000    
 C   -1.769700     -0.1586000      0.8567000    
 C   -3.395500      0.8453000     -0.6078000    
 C    2.951000     -0.4177000      -1.459700    
 C   -2.356000      -1.185100      -1.271700    
 C   -3.261000     -0.1571000      -1.546300    
 C    4.077200       2.609900     -5.8600001E-02
 C   -3.938600       2.597100      0.5400000    
 H   0.2772000      -1.686300       2.032600    
 H    1.486200      0.3299000       2.090100    
 H    1.789300      -2.221500      -1.390300    
 H   -1.232500     -0.1301000       1.796800    
 H    3.361900     -0.6172000      -2.442800    
 H   -2.232900      -1.981200      -2.002200    
 H   -3.833800     -0.1522000      -2.466600    
 H    5.091900       2.728900      0.3385000    
 H    3.719700       3.585200     -0.4086000    
 H   -3.573400       3.605600      0.3142000    
 H   -4.867200       2.679900       1.116200    
 H   0.6595000      -3.831500       1.766700    


%chk=000097786-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097786

0 1
O 3.506942 2.157089 1.220835
O 4.332293 1.819491 -1.007993
O -2.878801 2.233321 0.895275
O -4.672545 1.688142 -0.606469
O 1.223002 -3.259296 1.323116
O -0.661586 -3.346277 -0.504339
C 0.573169 -1.981943 1.054590
C 1.555175 -0.971543 0.450107
C -1.677971 -1.195206 -0.098788
C -0.627798 -2.224462 0.098992
C 2.001839 0.130283 1.233937
C 2.934439 0.990514 0.652833
C 3.421196 0.791518 -0.656346
C 2.049847 -1.167345 -0.864072
C -2.688569 0.944348 0.339739
C -1.641544 0.063152 0.585815
C -3.748817 0.629513 -0.542211
C 2.996159 -0.281761 -1.443615
C -2.751650 -1.502254 -0.983022
C -3.807996 -0.593500 -1.221085
C 4.535084 2.601482 0.241437
C -4.124706 2.758260 0.280549
H 0.201173 -1.598781 2.024899
H 1.651146 0.284144 2.259338
H 1.703004 -2.027961 -1.445801
H -0.827040 0.338603 1.257933
H 3.377752 -0.430146 -2.456816
H -2.738143 -2.476989 -1.479656
H -4.632107 -0.828894 -1.898373
H 5.539440 2.377692 0.647031
H 4.384699 3.670312 0.024153
H -3.883357 3.640294 -0.336952
H -4.859817 2.971136 1.073986
H 0.881987 -3.893434 0.625771


