%chk=000114534.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114534

0 1
 O   -5.999300       1.591100     -0.5249000    
 O   -4.249200       1.623900      0.9327000    
 C  -0.8368000     -0.6026000      0.3375000    
 C   -2.110600     -0.4162000     -0.4946000    
 C   0.4283000     -0.1111000     -0.3746000    
 C   -3.380200     -0.9631000      0.1948000    
 C    1.711000     -0.3622000      0.4229000    
 C    2.945700      8.3600000E-02 -0.3651000    
 C    4.263500     -0.1757000      0.3709000    
 C   -4.643400     -0.3426000     -0.4251000    
 C    5.492500      0.3366000     -0.3835000    
 C   -3.469100      -2.489200      9.7599998E-02
 C    6.770200      0.1174000      0.4279000    
 C   -4.913900       1.050600      8.1600003E-02
 C    7.991200      0.6594000     -0.2982000    
 H  -0.7096000      -1.663600      0.5809000    
 H  -0.9441000     -6.9499999E-02   1.290000    
 H   -2.225900      0.6571000     -0.6895000    
 H   -1.986600     -0.8961000      -1.473500    
 H   0.5056000     -0.6145000      -1.346500    
 H   0.3315000      0.9620000     -0.5807000    
 H   -3.340800     -0.7060000       1.261300    
 H    1.664100      0.1772000       1.376300    
 H    1.794400      -1.430000      0.6578000    
 H    2.862200       1.155300     -0.5850000    
 H    2.970300     -0.4365000      -1.330800    
 H    4.369600      -1.252600      0.5512000    
 H    4.219300      0.3069000       1.355300    
 H   -5.522300     -0.9432000     -0.1606000    
 H   -4.558700     -0.3135000      -1.517400    
 H    5.371400       1.405900     -0.5948000    
 H    5.571600     -0.1772000      -1.349000    
 H   -3.517900      -2.817200     -0.9463000    
 H   -4.362100      -2.861200      0.6114000    
 H   -2.602300      -2.968100      0.5627000    
 H    6.909700     -0.9527000      0.6202000    
 H    6.683900      0.6138000       1.401500    
 H    7.897200       1.735700     -0.4747000    
 H    8.893000      0.4906000      0.2986000    
 H    8.125200      0.1628000      -1.264400    
 H   -6.186500       2.497800     -0.2005000    


%chk=000114534-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114534

0 1
O -5.832008 1.684807 -0.980050
O -4.353459 1.823221 0.801089
C -0.845141 -0.792606 0.295237
C -2.171763 -0.428895 -0.409348
C 0.388412 -0.154964 -0.383840
C -3.445766 -0.948478 0.310673
C 1.720634 -0.505233 0.316308
C 2.954352 0.135270 -0.358902
C 4.285616 -0.204036 0.348894
C -4.721184 -0.355448 -0.336100
C 5.519541 0.438304 -0.324310
C -3.533627 -2.492846 0.305612
C 6.849744 0.105242 0.389465
C -4.901766 1.129255 -0.083541
C 8.077491 0.749877 -0.289774
H -0.711566 -1.893066 0.318823
H -0.893722 -0.457340 1.352332
H -2.230229 0.675530 -0.484501
H -2.157809 -0.821487 -1.449051
H 0.434417 -0.481814 -1.444121
H 0.264039 0.947972 -0.403941
H -3.407200 -0.595708 1.361457
H 1.672785 -0.178668 1.376338
H 1.846030 -1.608401 0.336888
H 2.824943 1.237672 -0.385982
H 3.006954 -0.196670 -1.417152
H 4.415984 -1.306459 0.376222
H 4.231906 0.127979 1.407067
H -5.625836 -0.856972 0.065741
H -4.737688 -0.531166 -1.428308
H 5.388174 1.540439 -0.355989
H 5.578359 0.102851 -1.381162
H -3.574563 -2.882578 -0.730281
H -4.438117 -2.845289 0.836495
H -2.658727 -2.947399 0.801856
H 6.979124 -0.996108 0.422070
H 6.789939 0.441797 1.444809
H 7.985959 1.852480 -0.308548
H 9.014624 0.497564 0.240075
H 8.177558 0.405123 -1.336490
H -5.954313 2.649348 -0.762660


