%chk=000086904.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086904

0 1
 O   -1.930300      -1.563800      -1.290400    
 O   -1.962100      -1.510300       1.092500    
 O   -3.816000      -2.751400     -0.6807000    
 O   -2.127100      0.3674000       2.430800    
 C   0.4308000     -0.2184000     -0.1110000    
 C  -0.8918000      0.2555000     -0.1630000    
 C    1.523000      0.6828000     -0.1515000    
 C   -1.180800       1.623500     -0.2562000    
 C  -0.1165000       2.542000     -0.2982000    
 C    2.865600      0.1624000     -9.6199997E-02
 C    1.206300       2.062200     -0.2457000    
 C   -2.035800     -0.7238000     -0.1181000    
 C    3.061700      -1.240200     -2.4999999E-03
 C   0.6639000      -1.593100     -1.8400000E-02
 C    1.959300      -2.096600      3.5100002E-02
 C   -2.503600       2.095700     -0.3082000    
 C  -0.4000000       3.915600     -0.3916000    
 C    4.033500      0.9655000     -0.1293000    
 C    4.358200      -1.780100      5.3300001E-02
 C   -2.768900       3.461800     -0.4008000    
 C   -1.717500       4.371400     -0.4425000    
 C    5.317300      0.4159000     -7.2999999E-02
 C    5.479600     -0.9575000      1.8300001E-02
 C   -2.882800      -2.527900      -1.439600    
 C   -2.019000     -0.8416000       2.279400    
 C   -2.624400      -3.294500      -2.700900    
 C   -1.922600      -1.822500       3.408200    
 H    2.005800       2.800300     -0.2804000    
 H   -3.042200     -0.3161000     -0.1398000    
 H  -0.1078000      -2.352600      8.0000004E-03
 H    2.096000      -3.174300      0.1048000    
 H   -3.388100       1.473900     -0.2853000    
 H   0.4070000       4.644800     -0.4257000    
 H    3.969500       2.048200     -0.2002000    
 H    4.506700      -2.856200      0.1252000    
 H   -3.794900       3.816000     -0.4409000    
 H   -1.921400       5.435700     -0.5148000    
 H    6.186600       1.066600     -0.1011000    
 H    6.474800      -1.389300      6.2300000E-02
 H   -3.379700      -4.078000      -2.810300    
 H   -1.639500      -3.765900      -2.652700    
 H   -2.689300      -2.624300      -3.561700    
 H   -2.754300      -2.529600       3.357100    
 H  -0.9657000      -2.348500       3.360500    
 H   -1.979300      -1.286800       4.360000    


%chk=000086904-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086904

0 1
O -1.780248 -1.747937 -1.031209
O -1.880875 -1.534579 1.313597
O -4.068678 -2.208256 -0.830703
O -3.604931 -0.191249 2.155018
C 0.594811 -0.225406 -0.064062
C -0.757240 0.233834 -0.053377
C 1.685632 0.724431 -0.242172
C -1.064195 1.633599 -0.156692
C 0.035143 2.567395 -0.352782
C 3.079799 0.246399 -0.259120
C 1.367796 2.086303 -0.398901
C -1.901566 -0.748057 0.041768
C 3.342276 -1.157754 -0.087865
C 0.925955 -1.630210 0.108228
C 2.232213 -2.067949 0.099820
C -2.395391 2.185182 -0.062041
C -0.235922 3.972932 -0.495743
C 4.197229 1.116399 -0.435374
C 4.685049 -1.640225 -0.098011
C -2.621302 3.553488 -0.197750
C -1.536198 4.461460 -0.430253
C 5.512914 0.626395 -0.444441
C 5.763645 -0.763296 -0.274706
C -2.973565 -2.430607 -1.383198
C -2.844166 -1.172341 2.282327
C -2.685653 -3.422513 -2.483972
C -2.794007 -2.134818 3.444740
H 2.161621 2.824143 -0.554258
H -2.893319 -0.278420 -0.023520
H 0.116505 -2.344934 0.257554
H 2.455506 -3.132490 0.240328
H -3.248497 1.542032 0.167308
H 0.608693 4.654457 -0.652228
H 4.042532 2.191481 -0.567060
H 4.860565 -2.714329 0.035559
H -3.641415 3.942935 -0.110839
H -1.735937 5.532709 -0.538960
H 6.350310 1.319097 -0.582640
H 6.791618 -1.141302 -0.282058
H -3.624402 -3.879825 -2.827498
H -2.006270 -4.208973 -2.110310
H -2.174922 -2.922832 -3.324277
H -3.250809 -3.095374 3.145335
H -1.750296 -2.337329 3.735349
H -3.355809 -1.719765 4.293891


