%chk=000041911.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041911

0 1
 O   -2.707700      -2.827500     -0.1585000    
 O   -3.966700      -1.827300       1.457100    
 C  -9.9200003E-02  0.5835000     -6.1299998E-02
 C   -2.396800     -0.5177000      0.1608000    
 C   -2.167200       1.946800      0.5998000    
 C   -1.956400       1.073300      -1.746300    
 C  -0.8786000     -0.6961000      0.3648000    
 C  -0.6526000       1.763700      0.7960000    
 C  -0.4410000      0.8973000      -1.548100    
 C   -2.890700      0.6591000       1.018200    
 C   -2.676500     -0.2175000      -1.324000    
 C   -2.453300       2.238500     -0.8797000    
 C    1.412800      0.3574000      9.6299998E-02
 C   -3.121300      -1.766600      0.5768000    
 C    2.042900     -0.6651000     -0.6132000    
 C    2.155400       1.175100      0.9482000    
 C    3.415300     -0.8698000     -0.4709000    
 C    3.527800      0.9702000       1.090700    
 C    4.157800     -5.2200001E-02  0.3811000    
 C    4.068000      -1.972000      -1.238800    
 C    5.628000     -0.2530000      0.5510000    
 H   -2.519500       2.783000       1.214300    
 H   -2.166700       1.284100      -2.800900    
 H  -0.5301000      -1.564700     -0.2084000    
 H  -0.6649000     -0.9333000       1.416800    
 H  -0.1526000       2.703500      0.5259000    
 H  -0.4602000       1.588000       1.862900    
 H  -9.5600002E-02  9.4899997E-02  -2.211900    
 H   8.2599998E-02   1.807600      -1.869900    
 H   -2.711400      0.4652000       2.084100    
 H   -3.974800      0.7938000      0.9057000    
 H   -3.756400     -0.1160000      -1.495100    
 H   -2.342400      -1.044700      -1.963600    
 H   -3.529400       2.387200      -1.031600    
 H   -1.957900       3.169300      -1.182100    
 H    1.474500      -1.307700      -1.280000    
 H    1.719100       1.983600       1.523500    
 H   -3.168800      -3.654000      9.9200003E-02
 H    4.091900       1.615800       1.758800    
 H    4.521300      -2.700100     -0.5584000    
 H    3.348500      -2.516100      -1.860700    
 H    4.835900      -1.572700      -1.909300    
 H    5.837500      -1.251300      0.9488000    
 H    6.147800     -0.1246000     -0.4040000    
 H    6.058000      0.4708000       1.252300    


%chk=000041911-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041911

0 1
O -2.720900 -2.905378 -0.157690
O -4.009635 -1.913488 1.488689
C -0.126276 0.615220 -0.057474
C -2.431979 -0.513337 0.168887
C -2.199115 1.972244 0.583019
C -1.983261 1.075639 -1.766524
C -0.889419 -0.681891 0.372507
C -0.672096 1.800172 0.792614
C -0.455452 0.909538 -1.559198
C -2.936449 0.681413 1.021010
C -2.710201 -0.227708 -1.344709
C -2.495284 2.262794 -0.911314
C 1.389431 0.401952 0.124310
C -3.143574 -1.790738 0.592937
C 2.056021 -0.624471 -0.598609
C 2.176051 1.194031 0.995668
C 3.443163 -0.868703 -0.479093
C 3.564010 0.962573 1.128483
C 4.220807 -0.058549 0.404994
C 4.096384 -1.979724 -1.283028
C 5.713471 -0.285183 0.565610
H -2.555129 2.817525 1.204061
H -2.187536 1.268596 -2.838292
H -0.536620 -1.549537 -0.212992
H -0.671995 -0.893985 1.438077
H -0.150276 2.735818 0.508601
H -0.467891 1.619615 1.867161
H -0.077048 0.087676 -2.197042
H 0.075429 1.830533 -1.871513
H -2.757612 0.476506 2.093596
H -4.029815 0.796634 0.897106
H -3.801200 -0.124078 -1.508785
H -2.360895 -1.082316 -1.953079
H -3.583818 2.405412 -1.063690
H -1.993316 3.199815 -1.224686
H 1.481650 -1.261907 -1.283151
H 1.718880 1.998763 1.578638
H -3.213417 -3.709715 0.160654
H 4.149697 1.591568 1.810564
H 4.578145 -2.729888 -0.626114
H 3.358850 -2.507083 -1.911766
H 4.889537 -1.588275 -1.949346
H 5.934980 -1.309013 0.924728
H 6.251243 -0.164086 -0.394897
H 6.148859 0.426716 1.287480


