%chk=000061093.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061093

0 1
 O    1.867700      0.6383000     -0.5217000    
 O    2.574500     -0.2332000       1.494300    
 C   -1.456500       2.485100     -0.4409000    
 C   -2.319100       1.549700      0.4292000    
 C  -0.1481000       1.854400     -0.9533000    
 C   -2.631900      0.2070000     -0.2395000    
 C   -1.182900       3.788300      0.3174000    
 C   -3.475400     -0.6835000      0.6795000    
 C   0.6903000       1.139900      0.1005000    
 C   -3.835100      -2.003000      3.8699999E-02
 C   -2.699900      -2.897400     -0.3697000    
 C    2.734200     -3.5700001E-02  0.2976000    
 C    3.924300     -0.4984000     -0.5115000    
 C   -5.112500      -2.347600     -0.1862000    
 C    4.947100      -1.237700      0.3477000    
 C    6.123100      -1.726300     -0.4821000    
 H   -2.047300       2.753500      -1.327400    
 H   -1.821300       1.370800       1.390600    
 H   -3.263400       2.057700      0.6644000    
 H  -0.3802000       1.139500      -1.753900    
 H   0.4658000       2.621400      -1.443900    
 H   -3.172300      0.3882000      -1.177100    
 H   -1.707900     -0.3149000     -0.5014000    
 H   -2.122000       4.281200      0.5908000    
 H  -0.6101000       4.486800     -0.3017000    
 H  -0.6184000       3.608000       1.237900    
 H   -2.923900     -0.8843000       1.606600    
 H   -4.383000     -0.1405000      0.9729000    
 H   0.1476000      0.3043000      0.5512000    
 H   0.9775000       1.842800      0.8904000    
 H   -3.052700      -3.884500     -0.6880000    
 H   -2.015500      -3.051100      0.4711000    
 H   -2.140100      -2.464500      -1.204000    
 H    3.559000      -1.160100      -1.304900    
 H    4.392000      0.3815000     -0.9672000    
 H   -5.368300      -3.289800     -0.6595000    
 H   -5.932300      -1.695600      9.6299998E-02
 H    4.472700      -2.095000      0.8404000    
 H    5.312900     -0.5782000       1.143800    
 H    6.843200      -2.251500      0.1533000    
 H    6.640200     -0.8886000     -0.9609000    
 H    5.791800      -2.417800      -1.263300    


%chk=000061093-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000061093

0 1
O 2.022287 0.628548 -0.525755
O 2.916825 0.110099 1.562719
C -1.420461 2.359832 -0.426972
C -2.295424 1.422685 0.451967
C -0.116025 1.688938 -0.951717
C -2.745635 0.116094 -0.240402
C -1.126442 3.684855 0.320855
C -3.718849 -0.708456 0.646009
C 0.810607 1.181099 0.155251
C -4.229996 -1.987414 -0.007873
C -3.192118 -3.044540 -0.347398
C 3.022189 0.125032 0.314354
C 4.208270 -0.363581 -0.502519
C -5.552667 -2.175586 -0.264113
C 5.240441 -1.144971 0.335155
C 6.462087 -1.569196 -0.506250
H -2.017217 2.612665 -1.329614
H -1.755701 1.175898 1.390447
H -3.197959 1.988453 0.763837
H -0.366482 0.842739 -1.618763
H 0.440974 2.421435 -1.567335
H -3.246173 0.357587 -1.200083
H -1.861203 -0.501696 -0.490809
H -2.066445 4.213344 0.565341
H -0.505819 4.363411 -0.293692
H -0.592199 3.506598 1.273014
H -3.192461 -0.964458 1.591216
H -4.578380 -0.067794 0.923722
H 0.356435 0.373172 0.756497
H 1.135330 1.981488 0.843652
H -3.662523 -3.968972 -0.723585
H -2.584595 -3.301458 0.542889
H -2.486075 -2.684968 -1.120919
H 3.827181 -0.973730 -1.343349
H 4.683062 0.523451 -0.969250
H -5.925765 -3.096458 -0.728145
H -6.299513 -1.411912 -0.015123
H 4.754682 -2.036251 0.775453
H 5.561385 -0.520581 1.189199
H 7.192190 -2.126758 0.107803
H 6.981611 -0.688578 -0.929718
H 6.164370 -2.220863 -1.349498


