%chk=000081543.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081543

0 1
 O   -6.393800     -0.7184000     -0.2132000    
 O    1.915800       4.426900      0.4897000    
 O    5.545700      -1.951100     -0.1987000    
 C  -0.7965000     -0.4402000     -0.1195000    
 C   -2.278600     -0.5143000     -0.1446000    
 C  -7.6399997E-02  0.8507000      4.2300001E-02
 C  -4.6399999E-02  -1.572400     -0.2268000    
 C    1.404700      -1.670100     -0.2196000    
 C   -2.932400     -0.4049000      -1.355100    
 C   0.2325000       1.285100       1.313900    
 C   -2.958300     -0.6901000       1.043800    
 C   0.2580000       1.571000      -1.085000    
 C   -4.325400     -0.4740000      -1.378200    
 C   0.9074000       2.496500       1.465300    
 C   -4.351200     -0.7594000       1.020600    
 C   0.9329000       2.782200     -0.9335000    
 C    2.115700      -1.583600      -1.416600    
 C    2.085400      -1.851000      0.9844000    
 C   -5.034800     -0.6513000     -0.1904000    
 C    1.257600       3.245000      0.3415000    
 C    3.507400      -1.678000      -1.409500    
 C    3.477000      -1.945200      0.9915000    
 C    4.188100      -1.858700     -0.2054000    
 C   -7.056200     -0.9007000       1.037300    
 C    2.243600       5.141400     -0.7012000    
 C    6.178100      -2.135600       1.067000    
 H  -0.5501000      -2.531900     -0.3377000    
 H   -2.390500     -0.2676000      -2.286700    
 H  -3.5100002E-02  0.7109000       2.196400    
 H   -2.435600     -0.7762000       1.992400    
 H   1.0100000E-02   1.219400      -2.082600    
 H   -4.852400     -0.3893000      -2.324600    
 H    1.157700       2.851800       2.461100    
 H   -4.839200     -0.8982000       1.979300    
 H    1.174800       3.312400      -1.848200    
 H    1.599600      -1.443600      -2.363400    
 H    1.544300      -1.921200       1.925200    
 H    4.055900      -1.610000      -2.345000    
 H    3.941900      -2.085200       1.961400    
 H   -8.131400     -0.9317000      0.8321000    
 H   -6.790800      -1.858600       1.497300    
 H   -6.883700     -5.4699998E-02   1.711200    
 H    1.344700       5.450600      -1.245200    
 H    2.763300       6.055800     -0.3967000    
 H    2.936600       4.574800      -1.332400    
 H    7.256500      -2.187800      0.8850000    
 H    6.006900      -1.281200       1.730600    
 H    5.885500      -3.084800       1.528500    


%chk=000081543-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081543

0 1
O -6.242221 -1.244267 -0.221428
O 1.440695 4.970502 0.344232
O 5.926826 -2.286300 -0.072134
C -0.556962 -0.418804 0.126816
C -2.036720 -0.595405 0.027419
C -0.035987 0.984890 0.142971
C 0.248423 -1.536652 0.249953
C 1.713424 -1.682040 0.184463
C -2.610054 -1.735373 -0.614266
C 0.850000 1.427465 1.167934
C -2.933601 0.360294 0.577926
C -0.443204 1.932840 -0.830996
C -4.000017 -1.923368 -0.676849
C 1.320116 2.750003 1.207437
C -4.333194 0.188017 0.524220
C 0.026098 3.265756 -0.813598
C 2.592588 -0.763316 -0.471559
C 2.300806 -2.853194 0.742083
C -4.871398 -0.963580 -0.102164
C 0.913351 3.676029 0.212339
C 3.973828 -0.996185 -0.538338
C 3.689378 -3.098457 0.692860
C 4.534029 -2.159765 0.050768
C -7.180612 -0.275210 0.348088
C 1.046007 5.967102 -0.653546
C 6.551083 -3.475460 0.511106
H -0.277025 -2.488689 0.417710
H -1.952342 -2.466274 -1.097367
H 1.165145 0.718524 1.940536
H -2.527050 1.248405 1.073498
H -1.133293 1.620156 -1.622699
H -4.435874 -2.792914 -1.178499
H 1.995828 3.091742 1.997386
H -4.984017 0.944517 0.973156
H -0.302694 3.961935 -1.590930
H 2.183350 0.132845 -0.945011
H 1.651155 -3.588130 1.234053
H 4.642605 -0.295453 -1.047722
H 4.092167 -4.010006 1.144750
H -8.179633 -0.687439 0.143528
H -7.037007 -0.169553 1.441236
H -7.079555 0.716088 -0.135641
H -0.048920 6.134375 -0.645537
H 1.564086 6.890937 -0.357082
H 1.367388 5.669490 -1.670861
H 7.625283 -3.369337 0.299888
H 6.388429 -3.520270 1.605844
H 6.168191 -4.402972 0.042026


