%chk=000050254.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050254

0 1
 O   0.1353000      -1.707900     -0.5972000    
 O  -0.1359000       1.707800     -0.5972000    
 O   -3.215500      -3.056400      -2.476300    
 O    3.214900       3.056200      -2.476200    
 O   -1.054100      -2.514700      -2.925200    
 O    1.053500       2.514500      -2.925300    
 O  -0.3863000      -3.513500      0.7985000    
 O   0.3858000       3.513400      0.7985000    
 C  -1.9999999E-04   0.000000       1.603500    
 C   -1.219000     -0.3013000      0.7824000    
 C    1.228200      0.3036000      0.7760000    
 C   -2.465200      0.2657000       1.095300    
 C    2.464600     -0.2658000       1.095300    
 C   -1.082100      -1.164000     -0.3053000    
 C    1.081500       1.163900     -0.3053000    
 C   -3.588500     -4.6599999E-02  0.2929000    
 C    3.588000      4.6399999E-02  0.2930000    
 C   -2.186500      -1.470700      -1.094500    
 C    2.186000       1.470700      -1.094500    
 C   -3.432200     -0.9164000     -0.7985000    
 C    3.431700      0.9163000     -0.7985000    
 C   -2.621100       1.135800       2.186500    
 C    2.620600      -1.136000       2.186500    
 C   -4.834700      0.5204000      0.6058000    
 C    4.834100     -0.5206000      0.6058000    
 C   -3.866800       1.689700       2.482900    
 C    3.866200      -1.689900       2.482800    
 C   -4.971500       1.382600       1.694100    
 C    4.970900      -1.382700       1.694200    
 C   -2.066700      -2.368600      -2.235100    
 C    2.066200       2.368500      -2.235200    
 C   0.3792000      -2.934200      3.9200000E-02
 C  -0.3798000       2.934100      3.9299998E-02
 C    1.735700      -3.447100     -0.3440000    
 C   -1.736200       3.447000     -0.3440000    
 H  -9.2000000E-02  0.8643000       2.262900    
 H   9.5899999E-02 -0.8632000       2.263400    
 H   -4.299000      -1.139600      -1.418400    
 H    4.298400       1.139400      -1.418400    
 H   -1.818800       1.411300       2.860100    
 H    1.818600      -1.411600       2.860400    
 H   -5.712100      0.2948000      3.1999999E-03
 H    5.711500     -0.2949000      3.1999999E-03
 H   -3.975800       2.358500       3.331900    
 H    3.975300      -2.358700       3.331700    
 H   -5.941000       1.813700       1.925800    
 H    5.940500      -1.813800       1.925800    
 H   -3.125800      -3.658700      -3.245400    
 H    3.125300       3.658500      -3.245400    
 H    1.618800      -4.265700      -1.058100    
 H    2.256500      -3.798400      0.5500000    
 H    2.337800      -2.660900     -0.8061000    
 H   -1.619400       4.265400      -1.058300    
 H   -2.257000       3.798600      0.5499000    
 H   -2.338400       2.660700     -0.8058000    


%chk=000050254-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050254

0 1
O 0.099045 -1.995545 -0.361805
O -0.099460 1.995404 -0.360964
O -3.399783 -3.144817 -2.569913
O 3.400010 3.146262 -2.568607
O -1.248205 -3.772939 -2.004751
O 1.246465 3.770803 -2.007126
O -0.248793 -3.804939 1.085696
O 0.251896 3.808541 1.081034
C 0.000000 -0.000166 1.634029
C -1.246845 -0.379317 0.834725
C 1.246751 0.379048 0.834594
C -2.524418 0.262111 1.059413
C 2.524338 -0.262452 1.058974
C -1.175900 -1.427553 -0.090034
C 1.175621 1.427495 -0.089950
C -3.683267 -0.187027 0.308724
C 3.683124 0.187020 0.308386
C -2.317347 -1.882474 -0.840922
C 2.316994 1.882608 -0.840870
C -3.547901 -1.248251 -0.630907
C 3.547614 1.248453 -0.630965
C -2.717354 1.333578 1.996390
C 2.717381 -1.334295 1.995524
C -4.958901 0.436971 0.515958
C 4.958829 -0.436919 0.515392
C -3.972262 1.919934 2.181995
C 3.972347 -1.920587 2.180889
C -5.107868 1.472844 1.436992
C 5.107909 -1.473091 1.436063
C -2.219521 -3.000068 -1.815638
C 2.218944 2.999900 -1.815900
C 0.419383 -3.282389 0.177101
C -0.418364 3.283810 0.175266
C 1.639271 -3.824576 -0.515009
C -1.639175 3.824691 -0.516230
H -0.232237 0.846343 2.301062
H 0.232270 -0.846693 2.301019
H -4.419312 -1.584216 -1.199491
H 4.418974 1.584637 -1.199490
H -1.875907 1.710554 2.584212
H 1.875988 -1.711606 2.583191
H -5.817027 0.078745 -0.064447
H 5.816909 -0.078425 -0.064917
H -4.086715 2.734435 2.905509
H 4.086894 -2.735365 2.904079
H -6.084039 1.943235 1.593962
H 6.084130 -1.943438 1.592861
H -3.281281 -3.919244 -3.182525
H 3.280948 3.920062 -3.181897
H 1.323887 -4.181837 -1.511347
H 2.061489 -4.660631 0.061260
H 2.393639 -3.034420 -0.657442
H -1.326190 4.175989 -1.515410
H -2.058101 4.664523 0.056923
H -2.395477 3.035186 -0.652064


