%chk=000063023.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063023

0 1
 O    4.707200      0.7890000      0.9010000    
 O   -6.115300      0.3071000     -0.7134000    
 C    1.567700     -0.7878000     -0.1242000    
 C   9.3699999E-02 -0.8932000      0.2789000    
 C    2.298200      0.3821000      0.5719000    
 C  -0.6327000      0.4311000     -0.1009000    
 C   -2.126200      0.3617000      0.3260000    
 C    1.607900       1.692500      0.1525000    
 C   9.9399999E-02   1.674400      0.4612000    
 C    3.753100      0.1511000      6.2300000E-02
 C    2.483600      -1.982700      0.1303000    
 C  -0.5938000      -2.092900     -0.3838000    
 C   -2.810800     -0.8712000     -0.3193000    
 C    3.907900      -1.390500      0.1406000    
 C   -2.064900      -2.169000      9.1000004E-03
 C    2.276100      0.2947000       2.126800    
 C   -2.910100       1.636400     -4.6000000E-02
 C   -4.275600     -0.9899000      0.1095000    
 C   -4.376400       1.557300      0.3599000    
 C   -5.011600      0.2971000     -0.1714000    
 C    3.972200      0.6133000      -1.322600    
 C    4.150300      0.9894000      -2.448500    
 H    1.578100     -0.6172000      -1.212600    
 H   2.0500001E-02  -1.040300       1.363600    
 H  -0.6058000      0.5233000      -1.197300    
 H   -2.163400      0.2503000       1.419300    
 H    1.715200       1.863800     -0.9249000    
 H    2.075700       2.550700      0.6498000    
 H  -6.3699998E-02   1.743600       1.542700    
 H  -0.3298000       2.585200      2.8500000E-02
 H    2.379100      -2.746300     -0.6474000    
 H    2.264300      -2.459400       1.092400    
 H  -0.1016000      -3.025800     -8.6000003E-02
 H  -0.5090000      -2.021500      -1.475500    
 H   -2.789700     -0.7356000      -1.410800    
 H    4.426900      -1.695100       1.057700    
 H    4.494200      -1.791700     -0.6950000    
 H   -2.532900      -3.011200     -0.5147000    
 H   -2.141600      -2.382500       1.083000    
 H    2.778400     -0.6017000       2.503800    
 H    2.785700       1.159600       2.567900    
 H    1.264600      0.2839000       2.540000    
 H   -2.840300       1.803400      -1.128600    
 H   -2.476800       2.514100      0.4443000    
 H   -4.364200      -1.204100       1.180600    
 H   -4.765600      -1.801500     -0.4400000    
 H   -4.917700       2.424800     -3.1900000E-02
 H   -4.479600       1.556400       1.450500    
 H    5.590900      0.4693000      0.6500000    
 H    4.307200       1.323200      -3.447400    


%chk=000063023-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063023

0 1
O 4.722085 0.880325 0.923473
O -6.172299 0.352619 -0.847009
C 1.572348 -0.812758 -0.105917
C 0.088511 -0.919417 0.293684
C 2.303766 0.370851 0.598467
C -0.637230 0.414570 -0.082625
C -2.144525 0.359193 0.318621
C 1.613897 1.691736 0.191986
C 0.094196 1.653651 0.510056
C 3.766532 0.150770 0.054398
C 2.508569 -2.030656 0.120250
C -0.612626 -2.127437 -0.369662
C -2.839841 -0.878070 -0.322263
C 3.948226 -1.414827 0.149052
C -2.103677 -2.192653 0.020723
C 2.339164 0.238306 2.144918
C -2.913922 1.649579 -0.064418
C -4.336997 -0.965540 0.091317
C -4.417406 1.591572 0.326190
C -5.088774 0.327755 -0.203050
C 3.948858 0.608174 -1.341276
C 4.182504 0.969456 -2.497515
H 1.590409 -0.587076 -1.196283
H 0.018442 -1.056735 1.395643
H -0.592387 0.499431 -1.194245
H -2.196991 0.240700 1.426594
H 1.749293 1.852825 -0.896035
H 2.085424 2.550661 0.707282
H -0.066612 1.678140 1.607355
H -0.360803 2.579778 0.111111
H 2.398974 -2.784532 -0.678630
H 2.273241 -2.532414 1.078242
H -0.105251 -3.067251 -0.077382
H -0.519180 -2.043001 -1.473361
H -2.798176 -0.743187 -1.426507
H 4.461531 -1.630756 1.103154
H 4.579585 -1.798870 -0.670577
H -2.599718 -3.041770 -0.490132
H -2.190665 -2.381871 1.111909
H 2.768358 -0.722485 2.477602
H 2.963555 1.041500 2.569279
H 1.327299 0.320185 2.575765
H -2.826537 1.811185 -1.158767
H -2.463055 2.530637 0.426073
H -4.386500 -1.156509 1.185076
H -4.844320 -1.802557 -0.420877
H -4.967463 2.475029 -0.041488
H -4.494992 1.579058 1.434042
H 5.604585 0.896713 0.472341
H 4.369594 1.293672 -3.504683


