%chk=000117339.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117339

0 1
 O   -1.957500     -0.7480000      0.7935000    
 C   -1.718600      0.3958000     -3.2000002E-02
 C    1.257200      0.3962000     -0.2558000    
 C  -0.8479000       1.380100      0.7620000    
 C   -1.002800     -5.2299999E-02  -1.315100    
 C   0.5528000      0.8271000       1.037300    
 C   0.3965000     -0.6061000      -1.036000    
 C   -3.073500       1.025500     -0.3598000    
 C    2.609500     -0.1794000      4.1000001E-02
 C    3.781600      0.5475000     -0.5486000    
 C   -2.759600      -1.705500      0.1226000    
 C    2.762300      -1.280900      0.7909000    
 H    1.377800       1.290800     -0.8826000    
 H   -1.322500       1.608300       1.724600    
 H  -0.7527000       2.326100      0.2139000    
 H  -0.8905000      0.8233000      -1.970700    
 H   -1.570400     -0.7732000      -1.910400    
 H    1.144900       1.597800       1.547200    
 H   0.4641000     -1.1100000E-02   1.739800    
 H   0.2982000      -1.555000     -0.4949000    
 H   0.8801000     -0.8430000      -1.992500    
 H   -3.617300      0.4885000      -1.144300    
 H   -3.718600       1.071800      0.5249000    
 H   -2.944500       2.047000     -0.7365000    
 H    3.705500      0.5690000      -1.640600    
 H    3.814300       1.578100     -0.1802000    
 H    4.733800      7.1800001E-02 -0.2909000    
 H   -2.224600      -2.224800     -0.6755000    
 H   -3.729500      -1.334900     -0.2132000    
 H   -2.987600      -2.481700      0.8624000    
 H    3.748400      -1.684900      0.9966000    
 H    1.919200      -1.811000       1.220000    


%chk=000117339-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117339

0 1
O -1.982975 -0.560516 0.917057
C -1.748620 0.462064 -0.149643
C 1.266861 0.253345 -0.393568
C -0.794757 1.466753 0.541257
C -1.048427 -0.170354 -1.382135
C 0.580511 0.847933 0.876034
C 0.320992 -0.793040 -1.031215
C -3.075813 1.143769 -0.541558
C 2.675513 -0.259536 -0.081850
C 3.723640 0.814843 0.169333
C -2.848962 -1.684666 0.572717
C 3.000750 -1.579426 -0.025683
H 1.377938 1.091347 -1.121821
H -1.282364 1.829089 1.465786
H -0.661564 2.338721 -0.130859
H -0.912509 0.626316 -2.142182
H -1.708687 -0.930077 -1.845207
H 1.224906 1.618604 1.340138
H 0.442881 0.037719 1.615289
H 0.163284 -1.623495 -0.315518
H 0.785356 -1.222765 -1.939837
H -3.755701 0.452597 -1.073042
H -3.593229 1.518987 0.359776
H -2.883832 2.000955 -1.212740
H 3.824334 1.478619 -0.712361
H 3.446254 1.461693 1.024070
H 4.713106 0.376097 0.383863
H -2.444182 -2.293842 -0.262144
H -3.879034 -1.363308 0.315259
H -2.888546 -2.309166 1.480347
H 4.021123 -1.903968 0.211453
H 2.269854 -2.372392 -0.213913


