%chk=000061586.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061586

0 1
 O    2.706500      0.1174000     -0.1721000    
 O   -2.542900       1.487500      0.4911000    
 O   -3.456600     -0.8916000     -0.6174000    
 C   0.5186000     -0.5098000      0.5176000    
 C    1.947100     -0.3768000      0.9244000    
 C  -0.3587000      0.5603000      0.6932000    
 C   5.9599999E-02  -1.704100     -3.7999999E-02
 C   -1.695000      0.4362000      0.3131000    
 C   -2.154100     -0.7581000     -0.2423000    
 C   -1.276700      -1.828200     -0.4178000    
 C    4.078500      0.2616000      0.1677000    
 C    4.831700      0.7890000      -1.034800    
 C   -2.658000       2.416600     -0.5848000    
 H    2.035600      0.3068000       1.778300    
 H    2.341800      -1.349700       1.243500    
 H  -5.9000002E-03   1.493900       1.124800    
 H   0.7338000      -2.544300     -0.1818000    
 H   -1.621000      -2.764100     -0.8499000    
 H    4.181900      0.9625000       1.003600    
 H    4.491100     -0.7092000      0.4643000    
 H    5.894300      0.9123000     -0.8076000    
 H    4.729000      0.1056000      -1.884300    
 H    4.423800       1.754400      -1.352200    
 H   -3.591800      -1.783400     -0.9812000    
 H   -3.027500       1.918600      -1.486800    
 H   -1.692400       2.891200     -0.7862000    
 H   -3.374100       3.190200     -0.2944000    


%chk=000061586-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000061586

0 1
O 2.808079 0.214521 -0.093261
O -1.862989 1.933119 -0.016775
O -3.584739 -0.379337 -0.120426
C 0.629778 -0.802068 0.281391
C 2.124377 -0.936832 0.502133
C 0.029458 0.472404 0.167679
C -0.189800 -1.953728 0.219314
C -1.366038 0.618852 0.011639
C -2.185804 -0.546820 -0.016871
C -1.587620 -1.823453 0.074108
C 4.247005 0.222927 0.203823
C 4.845972 1.461845 -0.460643
C -2.829520 2.283374 -1.078300
H 2.352489 -0.972939 1.594001
H 2.497916 -1.884430 0.052788
H 0.648985 1.372719 0.181832
H 0.254714 -2.953782 0.283315
H -2.220675 -2.720661 0.036900
H 4.403188 0.246048 1.306427
H 4.719720 -0.706112 -0.187967
H 5.932626 1.518218 -0.266239
H 4.684198 1.430164 -1.551770
H 4.371061 2.377373 -0.067753
H -4.036851 -1.258019 -0.074382
H -3.756963 1.696129 -0.982333
H -2.379399 2.119646 -2.076844
H -3.030568 3.355641 -0.931789


