%chk=000080506.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080506

0 1
 O    2.395200      -1.002400     -0.1761000    
 O  -0.8104000      -2.183600      0.3256000    
 O    1.438800       2.236800      0.5155000    
 O  -0.1734000       3.186900     -0.8477000    
 C    1.273400      -3.123400     -0.3810000    
 C    2.074400      -2.198300      0.5217000    
 C    3.145700     -0.1097000      0.6362000    
 C    3.467200       1.153700     -0.1465000    
 C  -3.6100000E-02  -2.492500     -0.8249000    
 C    2.210600       1.866400     -0.6186000    
 C   -1.669500      -1.120000      0.2260000    
 C   -2.235300     -0.7933000      -1.006500    
 C   -1.977500     -0.3639000       1.357000    
 C   -3.108700      0.2894000      -1.108100    
 C   -2.851100      0.7187000       1.255400    
 C   -3.416600       1.045300      2.2800000E-02
 C   0.2732000       2.889800      0.2492000    
 H    1.861900      -3.374700      -1.270900    
 H    1.068800      -4.051600      0.1648000    
 H    3.001600      -2.703500      0.8169000    
 H    1.512000      -1.960000       1.431900    
 H    4.082800     -0.5931000      0.9368000    
 H    2.579600      0.1323000       1.543300    
 H    4.055900       1.821900      0.4925000    
 H    4.073400      0.8987000      -1.023200    
 H   0.1928000      -1.601200      -1.423200    
 H  -0.5897000      -3.204800      -1.447500    
 H    1.618800       1.220800      -1.278100    
 H    2.494500       2.767900      -1.174200    
 H   -2.044200      -1.372500      -1.905000    
 H   -1.538500     -0.6129000       2.319200    
 H   -3.554100      0.5406000      -2.066300    
 H   -3.090000       1.308200       2.135800    
 H   -4.097200       1.888000     -5.6000002E-02
 H  -0.2257000       3.117100       1.203700    


%chk=000080506-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080506

0 1
O 2.798958 -0.947011 -0.154289
O -0.853858 -1.746810 0.506347
O 2.113123 2.492891 -0.519839
O 0.382667 1.572411 -1.816531
C 1.161808 -2.713752 -0.387019
C 2.127995 -2.028859 0.587117
C 3.414659 0.061726 0.713583
C 4.106342 1.087351 -0.194446
C -0.040096 -1.829597 -0.728448
C 3.163790 1.694070 -1.237470
C -2.008403 -0.946531 0.489749
C -2.363654 -0.075626 -0.571305
C -2.831850 -1.046623 1.640552
C -3.551364 0.685922 -0.467328
C -4.010175 -0.278960 1.727367
C -4.380630 0.591832 0.672406
C 0.796042 2.324465 -0.909492
H 1.708908 -2.956228 -1.317813
H 0.803276 -3.663102 0.052967
H 2.889034 -2.744000 0.966189
H 1.566447 -1.614198 1.450511
H 4.158664 -0.408132 1.393560
H 2.634134 0.551153 1.335573
H 4.549049 1.885651 0.430356
H 4.931447 0.591647 -0.741266
H 0.295677 -0.823415 -1.041129
H -0.654874 -2.275336 -1.535946
H 2.667796 0.913017 -1.835762
H 3.689489 2.406980 -1.895501
H -1.725199 0.039566 -1.451438
H -2.532911 -1.728903 2.442820
H -3.822262 1.359614 -1.288439
H -4.642900 -0.363618 2.618360
H -5.298968 1.184688 0.740416
H 0.160440 2.968818 -0.273913


