%chk=000006482.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006482

0 1
 O   -2.414200      0.4854000     -0.7653000    
 O   -3.285100     -6.2000002E-03   1.317200    
 C    1.639200      0.4606000      9.6100003E-02
 C    1.339700     -0.9269000     -0.5563000    
 C  -3.5900000E-02  -1.393000      1.6100001E-02
 C  -0.5700000     -9.7599998E-02  0.7409000    
 C   0.7333000      0.4628000       1.334400    
 C    3.146600      0.4411000      0.4543000    
 C    1.181600       1.610200     -0.8328000    
 C   -1.227900       1.000600     -0.1536000    
 C    2.591200      -1.763700     -0.2872000    
 C    3.707700     -0.7294000     -0.3611000    
 C  -0.2841000       1.482500      -1.272600    
 C   7.8699999E-02  -2.539000       1.051700    
 C  -0.9316000      -1.944100      -1.105200    
 C    3.927100       1.727200      0.2242000    
 C   -1.697000       2.204800      0.6837000    
 C   -3.360400      1.4100000E-02  9.6100003E-02
 C   -4.538900     -0.4895000     -0.6807000    
 H    1.272600     -0.8051000      -1.646400    
 H   -1.196900     -0.3912000       1.583400    
 H   0.6286000       1.456900       1.778900    
 H    1.120100     -0.1871000       2.126800    
 H    3.259500      0.1845000       1.516800    
 H    1.807600       1.648300      -1.732500    
 H    1.309600       2.571000     -0.3188000    
 H    2.717600      -2.561000      -1.025500    
 H    2.597400      -2.216800      0.7083000    
 H    4.644900      -1.110400      5.6200001E-02
 H    3.889000     -0.4364000      -1.402400    
 H  -0.6302000       2.441600      -1.679700    
 H  -0.3393000      0.7996000      -2.128200    
 H   0.4964000      -3.444600      0.5971000    
 H  -0.9103000      -2.801200       1.446700    
 H   0.7040000      -2.281200       1.910700    
 H  -0.4844000      -2.847200      -1.538900    
 H   -1.065100      -1.247100      -1.934500    
 H   -1.918200      -2.226900     -0.7260000    
 H    3.945300       2.014400     -0.8316000    
 H    3.497200       2.551800      0.8016000    
 H    4.966900       1.602900      0.5459000    
 H   -2.481700       2.769300      0.1656000    
 H   -2.087900       1.929900       1.667600    
 H  -0.8734000       2.901600      0.8757000    
 H   -4.222100      -1.269500      -1.377400    
 H   -5.007900      0.3384000      -1.218000    
 H   -5.270500     -0.9193000      9.4999997E-03


%chk=000006482-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000006482

0 1
O -2.479377 0.490057 -0.725225
O -3.625863 -0.079730 1.243193
C 1.676974 0.463652 0.112082
C 1.351812 -0.944779 -0.528932
C -0.022291 -1.426636 0.097549
C -0.547974 -0.125491 0.846085
C 0.785787 0.468551 1.384644
C 3.226359 0.466536 0.387777
C 1.169694 1.608395 -0.807912
C -1.219600 0.994246 -0.016578
C 2.644065 -1.784961 -0.343232
C 3.763353 -0.721113 -0.462277
C -0.319953 1.418205 -1.204197
C 0.152940 -2.539591 1.172083
C -0.952326 -2.021935 -0.991147
C 3.980635 1.790647 0.157235
C -1.647967 2.214751 0.830843
C -3.567296 0.007704 -0.007099
C -4.674373 -0.395506 -0.964098
H 1.208790 -0.819090 -1.621951
H -1.250296 -0.400522 1.651845
H 0.679571 1.469826 1.837517
H 1.209354 -0.190800 2.163880
H 3.365273 0.187713 1.454842
H 1.769212 1.657224 -1.738179
H 1.305729 2.580929 -0.294039
H 2.738419 -2.598314 -1.085758
H 2.686542 -2.246217 0.661050
H 4.748393 -1.082391 -0.111920
H 3.881365 -0.405224 -1.519565
H -0.719148 2.348484 -1.650892
H -0.396236 0.641056 -1.984517
H 0.601804 -3.447407 0.728483
H -0.835760 -2.818448 1.582092
H 0.790128 -2.231474 2.019776
H -0.473771 -2.919160 -1.429893
H -1.163307 -1.313153 -1.807760
H -1.921446 -2.339408 -0.562122
H 3.912490 2.124497 -0.894592
H 3.589649 2.604176 0.796753
H 5.054023 1.667727 0.395965
H -2.357525 2.828769 0.247517
H -2.136304 1.905617 1.768631
H -0.780309 2.852281 1.071535
H -4.301019 -1.143630 -1.685151
H -5.011087 0.480260 -1.545973
H -5.520337 -0.811221 -0.397567


