%chk=000025238.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025238

0 1
 O  -0.1703000      -1.136700       1.101400    
 O    1.222500      -1.964200      -1.156800    
 O  -0.9484000      0.7084000     -0.1067000    
 C    3.690900      0.2260000      0.4158000    
 C    1.129100     -0.6829000      0.8631000    
 C    1.796300      -1.110300     -0.2638000    
 C    5.077600      0.7180000      0.1729000    
 C    3.093400     -0.6501000     -0.4904000    
 C   -2.508500     -0.8962000      0.8556000    
 C    2.991500      0.6419000       1.548600    
 C   -3.636400     -0.1279000      0.2538000    
 C    1.694300      0.1818000       1.775200    
 C   -1.144200     -0.3136000      0.5374000    
 C   -4.225600      0.9175000      0.9648000    
 C   -4.102100     -0.4547000      -1.019600    
 C    5.119400       1.991300     -0.6317000    
 C   -5.280500       1.636200      0.4023000    
 C   -5.157000      0.2640000      -1.582200    
 C   -5.746200       1.309500     -0.8713000    
 C    1.411900      -3.359900     -0.9326000    
 C    5.692500       2.101700      -1.835500    
 H    5.581700      0.8974000       1.131500    
 H    5.666800     -6.9700003E-02 -0.3152000    
 H    3.633100     -0.9760000      -1.376500    
 H   -2.620700     -0.9300000       1.946000    
 H   -2.532800      -1.931600      0.4940000    
 H    3.444700       1.325300       2.261900    
 H    1.150200      0.5053000       2.657100    
 H   -3.870700       1.183500       1.957000    
 H   -3.650300      -1.265500      -1.584900    
 H    4.665800       2.875800     -0.1908000    
 H   -5.738800       2.450700      0.9556000    
 H   -5.519200      1.0100000E-02  -2.574000    
 H   -6.567300       1.869300      -1.309400    
 H   0.9913000      -3.655200      3.3799998E-02
 H    2.475900      -3.613800     -0.9733000    
 H   0.8909000      -3.907500      -1.722600    
 H    5.693800       3.051900      -2.358300    
 H    6.165300       1.253600      -2.317900    


%chk=000025238-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025238

0 1
O -0.445105 -0.827649 -0.360270
O 1.937342 -2.394313 -0.741440
O -1.161818 0.636107 -2.060519
C 3.424398 0.931796 0.025970
C 0.844155 -0.212206 -0.240662
C 1.993930 -1.033533 -0.385375
C 4.815229 1.546247 0.197864
C 3.272133 -0.447464 -0.252393
C -2.698012 -1.082756 -1.165951
C 2.260173 1.726241 0.180217
C -3.704996 -0.309825 -0.309472
C 0.975708 1.158670 0.049923
C -1.387659 -0.315446 -1.292555
C -4.097895 -0.799376 0.960162
C -4.251532 0.913006 -0.777392
C 5.838858 1.050570 -0.806923
C -5.028977 -0.084233 1.748514
C -5.179803 1.628525 0.010367
C -5.573238 1.131465 1.275316
C 1.195323 -3.291098 0.168511
C 7.036420 0.498846 -0.488152
H 4.723678 2.648132 0.113142
H 5.189238 1.341955 1.221322
H 4.147224 -1.093125 -0.381400
H -2.500033 -2.074302 -0.729754
H -3.092958 -1.214341 -2.189005
H 2.356030 2.796583 0.395385
H 0.078989 1.776749 0.150458
H -3.675073 -1.740139 1.332663
H -3.941397 1.304729 -1.753318
H 5.561106 1.166573 -1.865610
H -5.327430 -0.475438 2.727627
H -5.596836 2.570999 -0.361885
H -6.295486 1.685625 1.885102
H 0.134237 -2.998338 0.243554
H 1.658841 -3.285826 1.174093
H 1.287250 -4.292097 -0.279584
H 7.743000 0.174140 -1.260025
H 7.344885 0.357946 0.555796


