%chk=000080797.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080797

0 1
 O    2.705600      0.4343000     -3.7999999E-02
 O    5.493200      0.6236000     -0.2351000    
 C   -2.874600     -0.3459000      0.2529000    
 C   -3.648400      0.9465000     -0.1525000    
 C   -1.351600     -0.1332000      0.1738000    
 C   -3.244400     -0.6872000       1.718300    
 C   -3.386500      -1.524300     -0.6103000    
 C   -3.351500       1.470000      -1.554900    
 C  -0.7948000      0.8613000      0.9358000    
 C  -0.6252000     -0.9484000     -0.6558000    
 C   0.5849000       1.054200      0.8633000    
 C   0.7544000     -0.7555000     -0.7281000    
 C    1.359500      0.2458000      3.1300001E-02
 C    3.508000     -0.7115000     -0.3196000    
 C    4.871500     -0.5297000      0.3188000    
 H   -4.728200      0.7601000     -7.9000004E-02
 H   -3.441300       1.755500      0.5594000    
 H   -3.029200      0.1352000       2.409300    
 H   -2.693000      -1.566900       2.071600    
 H   -4.314600     -0.9074000       1.812400    
 H   -3.175400      -1.391400      -1.676600    
 H   -4.474700      -1.627800     -0.5170000    
 H   -2.952900      -2.480100     -0.2920000    
 H   -3.937200       2.376400      -1.741500    
 H   -3.622700      0.7418000      -2.324100    
 H   -2.296400       1.730200      -1.678300    
 H   -1.376900       1.504200       1.586700    
 H   -1.042900      -1.735100      -1.270500    
 H    1.050800       1.836200       1.456700    
 H    1.317500      -1.387800      -1.408300    
 H    3.069200      -1.629400      9.0599999E-02
 H    3.614300     -0.7991000      -1.406900    
 H    5.508300      -1.398800      0.1302000    
 H    4.775300     -0.3727000       1.397800    
 H    6.361600      0.7125000      0.1935000    


%chk=000080797-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080797

0 1
O 2.828757 0.054510 0.511779
O 5.344602 0.970754 -0.488065
C -2.968327 -0.309188 0.234747
C -3.550490 1.068988 -0.238684
C -1.422805 -0.255815 0.263089
C -3.491829 -0.586537 1.677923
C -3.502581 -1.436921 -0.685611
C -3.128855 1.518094 -1.653989
C -0.759740 0.728088 1.052889
C -0.603992 -1.155971 -0.459044
C 0.641542 0.810291 1.116573
C 0.810032 -1.095054 -0.408463
C 1.434659 -0.104763 0.382099
C 3.703965 -0.862872 -0.243236
C 5.126738 -0.379687 0.034008
H -4.656674 1.003901 -0.184076
H -3.252683 1.849751 0.489328
H -3.175755 0.202208 2.384487
H -3.109653 -1.551985 2.057160
H -4.597956 -0.624283 1.685530
H -3.161696 -1.325750 -1.730296
H -4.608155 -1.418802 -0.689839
H -3.186171 -2.433570 -0.325656
H -3.536536 2.520537 -1.880427
H -3.500006 0.827000 -2.432388
H -2.028719 1.571507 -1.742725
H -1.347930 1.449126 1.632234
H -1.061112 -1.930797 -1.081736
H 1.139661 1.569631 1.727782
H 1.397975 -1.816307 -0.984253
H 3.555799 -1.906520 0.103368
H 3.474684 -0.792207 -1.325320
H 5.852541 -1.023650 -0.490641
H 5.326459 -0.425074 1.124944
H 4.625953 1.546966 -0.119591


