%chk=000047970.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047970

0 1
 O   -2.207300      -3.080400      -1.561100    
 O    3.169600       1.969000     -0.9889000    
 O    5.064100       1.051700      0.1848000    
 C   -3.266600      -1.327900     -0.3257000    
 C   -2.062800      -2.276600     -0.3889000    
 C   -3.206700     -0.3547000      0.8539000    
 C  -0.7523000      -1.543000     -0.4758000    
 C   -4.387600      0.5749000      0.8497000    
 C    1.537300      -1.007100      0.3686000    
 C   0.2463000      -1.713300      0.4050000    
 C    2.868700      0.8052000     -0.3508000    
 C    3.950500      0.2813000      0.3193000    
 C    1.638800      0.1798000     -0.3452000    
 C   -4.486000       1.773500      0.2443000    
 C    2.627700      -1.550500       1.053700    
 C    3.862100     -0.8969000       1.032100    
 C    4.562000       2.119700     -0.6443000    
 C   -5.741300       2.593900      0.3735000    
 C   -3.416400       2.401500     -0.6041000    
 H   -4.186700      -1.925800     -0.2744000    
 H   -3.338900     -0.7717000      -1.270900    
 H   -2.088200      -2.948600      0.4771000    
 H   -3.204200     -0.9137000       1.797600    
 H   -2.278900      0.2265000      0.8474000    
 H  -0.6532000     -0.8704000      -1.323100    
 H   -5.242800      0.2144000       1.419700    
 H   0.1162000      -2.419700       1.221800    
 H   0.8117000      0.6420000     -0.8708000    
 H    2.535500      -2.481500       1.607800    
 H    4.717000      -1.306400       1.558200    
 H   -1.468700      -3.713200      -1.577300    
 H    4.690700       3.068500     -0.1107000    
 H    5.150500       2.152900      -1.568400    
 H   -5.513700       3.565300      0.8247000    
 H   -6.496300       2.106400      0.9993000    
 H   -6.186700       2.763800     -0.6122000    
 H   -2.544600       1.757200     -0.7442000    
 H   -3.811300       2.630100      -1.599800    
 H   -3.071700       3.334500     -0.1466000    


%chk=000047970-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047970

0 1
O -2.142641 -3.262818 -1.555260
O 3.837250 1.417375 -1.666487
O 5.322558 1.079832 0.191760
C -3.250720 -1.372882 -0.570389
C -2.007198 -2.273341 -0.450455
C -3.408706 -0.394385 0.623039
C -0.700772 -1.528072 -0.584259
C -4.677337 0.428041 0.520323
C 1.590518 -0.871523 0.323260
C 0.282176 -1.550197 0.363273
C 3.245976 0.549057 -0.713336
C 4.122602 0.353209 0.378932
C 1.986575 -0.037561 -0.774513
C -4.801252 1.785044 0.443785
C 2.484702 -1.055885 1.416218
C 3.766007 -0.446924 1.465544
C 5.205745 1.697152 -1.158229
C -6.172743 2.435631 0.337960
C -3.639686 2.764006 0.456758
H -4.137542 -2.032388 -0.637940
H -3.197487 -0.808051 -1.520345
H -2.029550 -2.804264 0.528218
H -3.437434 -0.989199 1.561937
H -2.514799 0.250980 0.692959
H -0.581204 -0.970451 -1.524648
H -5.605698 -0.165950 0.495095
H 0.093027 -2.139354 1.274462
H 1.328877 0.138168 -1.629104
H 2.172394 -1.693806 2.250829
H 4.441480 -0.595162 2.311431
H -1.300892 -3.785458 -1.605230
H 5.339331 2.787270 -1.065603
H 5.944353 1.226769 -1.831989
H -6.347311 3.136704 1.178814
H -6.983826 1.686705 0.342500
H -6.259814 3.031337 -0.592901
H -2.655217 2.269946 0.487413
H -3.668187 3.412038 -0.441936
H -3.707755 3.439106 1.333415


