%chk=000046988.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046988

0 1
 O    3.283800     -0.3458000     -2.2000000E-03
 O   -1.516600     -0.4020000     -8.8999998E-03
 O   -2.950000       1.410400      8.3999997E-03
 C   0.8760000     -0.3756000     -2.2500001E-02
 C    2.130100      0.4843000     -9.8000001E-03
 C  -0.3905000      0.4645000     -1.1000000E-02
 C    4.479300      0.4226000      9.8000001E-03
 C    5.667900     -0.5148000      1.7400000E-02
 C   -2.737300      0.2083000      1.1000000E-03
 C   -3.774700     -0.8438000      3.8000001E-03
 C   -5.067900     -0.5082000      1.3800000E-02
 H   0.8816000      -1.058200      0.8369000    
 H   0.8824000      -1.035500     -0.8994000    
 H    2.135300       1.121100      0.8828000    
 H    2.149300       1.126800     -0.8981000    
 H  -0.4147000       1.095000      0.8856000    
 H  -0.4242000       1.104800     -0.9003000    
 H    4.518900       1.060800     -0.8800000    
 H    4.504000       1.056300      0.9034000    
 H    6.607400      4.5000002E-02  2.6600000E-02
 H    5.637700      -1.168800      0.8952000    
 H    5.652400      -1.164400     -0.8640000    
 H   -3.471400      -1.884700     -2.4999999E-03
 H   -5.829200      -1.281200      1.5699999E-02
 H   -5.402600      0.5233000      2.0300001E-02


%chk=000046988-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046988

0 1
O 3.302573 -0.312744 0.002636
O -1.529779 -0.416898 -0.000420
O -2.997647 1.403692 0.000470
C 0.890611 -0.303461 0.000080
C 2.143710 0.582117 0.001348
C -0.386673 0.537637 0.000950
C 4.578226 0.419067 0.002641
C 5.702700 -0.615443 0.004170
C -2.806977 0.161769 -0.000637
C -3.843070 -0.902902 -0.001954
C -5.166024 -0.596332 -0.002366
H 0.910624 -0.957850 0.889547
H 0.910730 -0.955908 -0.890796
H 2.164637 1.239071 0.901797
H 2.166586 1.239013 -0.899079
H -0.469088 1.182373 0.896372
H -0.468927 1.184717 -0.892793
H 4.636739 1.071847 -0.897641
H 4.635806 1.073496 0.901783
H 6.688621 -0.115920 0.004157
H 5.633792 -1.257774 0.898827
H 5.634634 -1.259483 -0.889324
H -3.478621 -1.935243 -0.002586
H -5.935126 -1.375389 -0.003376
H -5.491057 0.450748 -0.001705


