%chk=000043415.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043415

0 1
 O  -0.5655000       1.567700      0.7667000    
 O   -2.315500      -1.504700      0.6777000    
 O    4.074500      0.2490000      0.5775000    
 O   -4.650200       2.564500     -0.5567000    
 O   -2.830400       1.671600      -1.580900    
 O   -1.498400      -2.191700      -1.405200    
 O    3.968000      0.3485000      -1.758900    
 C   4.8000002E-03 -0.6150000      0.6500000    
 C   0.4769000      0.6926000      0.6975000    
 C   -1.410800     -0.5162000      0.6942000    
 C   -1.703800      0.8262000      0.7645000    
 C   0.9382000      -1.663500      0.5748000    
 C   -2.964600       1.579500      0.8364000    
 C    1.827100       1.037500      0.6762000    
 C    2.737600     -2.0700000E-02  0.6016000    
 C    2.303700      -1.348000      0.5512000    
 C   -3.459200       1.915200     -0.5584000    
 C   -2.276000      -2.328200     -0.4700000    
 C    4.598800      0.4222000     -0.7126000    
 C   -3.323000      -3.399600     -0.3932000    
 C    6.068100      0.7131000     -0.6323000    
 H   -2.824100       2.515000       1.388100    
 H   -3.732900      0.9842000       1.340800    
 H   0.6204000      -2.701200      0.5404000    
 H    2.150200       2.071400      0.7160000    
 H    3.030400      -2.155100      0.4950000    
 H   -3.143200      -4.027400      0.4828000    
 H   -3.269600      -4.024700      -1.289100    
 H   -4.314100      -2.942400     -0.3432000    
 H   -4.942800       2.795000      -1.464200    
 H    6.232000       1.631100     -6.2799998E-02
 H    6.466100      0.8522000      -1.641400    
 H    6.585800     -0.1283000     -0.1651000    


%chk=000043415-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043415

0 1
O -0.654229 1.627912 0.635030
O -2.399817 -1.547209 0.427392
O 4.057250 0.688621 -0.049191
O -4.780437 2.963847 0.130195
O -3.380474 2.057467 -1.490345
O -1.527143 -2.782455 -1.373893
O 5.242984 -1.329894 -0.352422
C 0.009818 -0.566030 0.190341
C 0.442110 0.782779 0.361134
C -1.434963 -0.516748 0.367923
C -1.798869 0.789912 0.633590
C 0.990082 -1.552721 -0.076377
C -3.111966 1.431253 0.910683
C 1.774155 1.195620 0.283768
C 2.722048 0.182684 0.023238
C 2.346738 -1.181014 -0.155964
C -3.717183 2.152510 -0.295637
C -2.387424 -2.638413 -0.489777
C 5.223572 -0.088997 -0.231617
C -3.563873 -3.537692 -0.192475
C 6.420409 0.835598 -0.253318
H -3.036643 2.156896 1.740207
H -3.834564 0.657024 1.229098
H 0.704050 -2.592676 -0.244587
H 2.080887 2.235486 0.412150
H 3.111876 -1.929514 -0.359822
H -3.575351 -3.818444 0.874074
H -3.507649 -4.438030 -0.820488
H -4.506596 -3.002111 -0.402438
H -5.186623 3.415097 -0.659033
H 6.321441 1.566010 -1.074927
H 7.337889 0.245295 -0.387891
H 6.476994 1.407738 0.688781


