%chk=000016821.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016821

0 1
 O    2.943400      0.7349000      8.8200003E-02
 O    4.811900       2.014100     -0.2833000    
 C    2.702100     -0.6387000      0.4231000    
 C    1.388800      -1.094100     -0.1839000    
 C   0.2084000     -0.2981000      0.3721000    
 C    3.902500      -1.375800     -0.1266000    
 C   -1.109500     -0.7378000     -0.2679000    
 C   -2.287000      8.1500001E-02  0.2633000    
 C    5.013300     -0.3734000      7.6099999E-02
 C   -3.609600     -0.3813000     -0.3523000    
 C   -4.789600      0.4178000      0.2054000    
 C    4.288100      0.9307000     -7.5999998E-02
 C   -6.142400     -2.6600000E-02 -0.3549000    
 C   -7.320400      0.7469000      0.2168000    
 H    2.664400     -0.7146000       1.517100    
 H    1.240400      -2.163000      1.0400000E-02
 H    1.416900     -0.9572000      -1.272400    
 H   0.3563000      0.7727000      0.1872000    
 H   0.1525000     -0.4331000       1.459100    
 H    4.085800      -2.330800      0.3739000    
 H    3.784100      -1.573300      -1.199500    
 H   -1.278100      -1.802000     -6.3000001E-02
 H   -1.047400     -0.6239000      -1.357000    
 H   -2.337000     -1.5400000E-02   1.354800    
 H   -2.128300       1.143400      3.9700001E-02
 H    5.794500     -0.4814000     -0.6796000    
 H    5.436400     -0.4321000       1.082900    
 H   -3.760100      -1.447300     -0.1435000    
 H   -3.571000     -0.2669000      -1.442300    
 H   -4.807600      0.3200000       1.298100    
 H   -4.642500       1.482600     -1.4200000E-02
 H   -6.287900      -1.093700     -0.1483000    
 H   -6.138400      8.7899998E-02  -1.445500    
 H   -7.228500       1.815400     -2.4000001E-03
 H   -8.258400      0.3886000     -0.2186000    
 H   -7.378700      0.6226000       1.302600    


%chk=000016821-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000016821

0 1
O 3.034931 0.774730 0.053936
O 4.888308 2.069965 -0.482571
C 2.768282 -0.659695 0.440594
C 1.428133 -1.084635 -0.160694
C 0.219354 -0.309861 0.408520
C 4.012348 -1.432293 -0.069488
C -1.118334 -0.727352 -0.240987
C -2.333927 0.035042 0.332526
C 5.140700 -0.380317 -0.009518
C -3.673536 -0.364385 -0.326180
C -4.889071 0.398238 0.247561
C 4.414771 0.961815 -0.186411
C -6.228512 0.002733 -0.415185
C -7.437614 0.769734 0.162728
H 2.720361 -0.670521 1.548273
H 1.300350 -2.171488 0.027077
H 1.479152 -0.951416 -1.259670
H 0.386542 0.774073 0.258470
H 0.161401 -0.471872 1.505478
H 4.214621 -2.326193 0.543167
H 3.843842 -1.758145 -1.112235
H -1.273365 -1.818843 -0.105149
H -1.062849 -0.554807 -1.336158
H -2.396028 -0.143334 1.426598
H -2.173715 1.125852 0.204919
H 5.918503 -0.493012 -0.780478
H 5.645507 -0.369053 0.975261
H -3.833832 -1.456046 -0.200654
H -3.611605 -0.183677 -1.419907
H -4.954995 0.216304 1.340913
H -4.729111 1.489949 0.124295
H -6.387461 -1.088276 -0.291910
H -6.161423 0.184886 -1.507373
H -7.316819 1.860941 0.024909
H -8.381622 0.469674 -0.328521
H -7.545885 0.579887 1.247462


