%chk=000031763.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031763

0 1
 O    3.565400      0.6551000     -0.4590000    
 O   0.9354000      0.6954000       2.054000    
 O  -0.1528000      -1.660000     -0.8951000    
 O    2.704600      -2.169200      0.7514000    
 O   -1.928600       2.046100      -1.787400    
 O   -1.056900       3.429800      0.4309000    
 O   -3.846200      0.7582000     -0.4675000    
 O   0.7597000      -3.725300     -0.4058000    
 C    1.088100      0.5386000     -0.8109000    
 C    2.256600      0.8475000      0.1014000    
 C  -0.1811000       1.286800     -0.1638000    
 C    1.995100      5.6600001E-02   1.337200    
 C    1.088300      -1.033400     -0.6496000    
 C    3.250000       1.979000     -6.6999998E-03
 C    1.563800      -1.313600      0.7951000    
 C  -0.3116000      0.9087000       1.360700    
 C    1.322900      0.9036000      -2.284300    
 C   -1.494700      0.9715000     -0.9609000    
 C   6.1099999E-02   2.831900     -0.1735000    
 C   -1.287800     -0.1793000       1.697700    
 C   -2.688500      0.4980000     -0.1415000    
 C   -2.427600     -0.3806000       1.026500    
 C  -0.1858000      -3.022900     -0.7371000    
 C   -3.470500      -1.375000       1.416700    
 C   -1.559100      -3.547300      -1.028600    
 H    2.868200     -6.6999998E-03   1.994900    
 H    1.812300      -1.454200      -1.363000    
 H    3.105900       2.740200     -0.7614000    
 H    3.730800       2.326900      0.8985000    
 H   0.8218000      -1.797700       1.433800    
 H  -0.7287000       1.758200       1.914600    
 H    2.217400      0.4097000      -2.681400    
 H   0.4844000      0.5980000      -2.916800    
 H    1.478300       1.976800      -2.424000    
 H   -1.314900      0.1547000      -1.663700    
 H   0.1931000       3.247400      -1.176300    
 H   0.9289000       3.117700      0.4246000    
 H   -1.092300     -0.7679000       2.591000    
 H    3.401000      -1.724000      0.2391000    
 H   -2.625500       1.706500      -2.374700    
 H   -1.798100       3.396000     -0.1967000    
 H   -3.741200      -2.002800      0.5622000    
 H   -4.373100     -0.8647000       1.767900    
 H   -3.123800      -2.036000       2.217900    
 H   -2.145200      -2.812300      -1.587800    
 H   -2.065500      -3.778700     -8.9299999E-02
 H   -1.475900      -4.446400      -1.644900    


%chk=000031763-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031763

0 1
O 3.662058 0.437394 -0.411287
O 0.920865 0.964213 2.170434
O -0.157314 -1.804172 -0.584969
O 2.761525 -2.145334 1.201991
O -1.926338 1.924354 -1.804124
O -1.111622 3.553098 0.182540
O -3.858276 0.596626 -0.566828
O 0.801437 -3.108283 -2.283326
C 1.074302 0.459935 -0.710083
C 2.298594 0.845744 0.147378
C -0.178422 1.258141 -0.121593
C 2.004160 0.219343 1.506087
C 1.117703 -1.085354 -0.378644
C 3.321559 1.886003 -0.112961
C 1.621709 -1.234938 1.092971
C -0.360251 1.033185 1.427047
C 1.262222 0.674704 -2.226387
C -1.484036 0.852229 -0.895937
C 0.060638 2.803640 -0.264460
C -1.302735 -0.071954 1.848942
C -2.705345 0.398208 -0.060842
C -2.476342 -0.332421 1.197025
C -0.169721 -2.845160 -1.547282
C -3.559278 -1.256911 1.703083
C -1.503234 -3.555433 -1.517619
H 2.845189 0.241215 2.215304
H 1.863789 -1.539941 -1.058851
H 3.242287 2.513424 -1.008564
H 3.872258 2.321284 0.730089
H 0.852583 -1.667456 1.749594
H -0.808221 1.976434 1.805935
H 2.242546 0.270276 -2.533184
H 0.485500 0.143993 -2.803340
H 1.215653 1.735809 -2.520687
H -1.253789 -0.042640 -1.506419
H 0.314175 3.070124 -1.304897
H 0.877355 3.111132 0.408901
H -1.079024 -0.542772 2.815658
H 3.520796 -1.762346 0.686644
H -2.903924 1.749880 -1.948415
H -1.793211 3.396688 -0.531647
H -3.700471 -2.115071 1.018759
H -4.527850 -0.727424 1.745450
H -3.319808 -1.647225 2.706104
H -2.335251 -2.831574 -1.497385
H -1.573649 -4.168005 -0.600785
H -1.593091 -4.211759 -2.395020


