%chk=000031344.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031344

0 1
 O    2.131100      0.8586000     -1.9999999E-04
 O   -2.120800      0.8788000     -1.5500000E-02
 C  -1.5000000E-03 -0.3419000      3.0000000E-03
 C   0.7802000      0.9160000      0.4421000    
 C   -1.454500     -0.2593000      0.5166000    
 C   8.2000000E-03 -0.4478000      -1.533900    
 C   0.6573000      -1.604400      0.5879000    
 H   0.3375000       1.822200      1.5400000E-02
 H   0.7785000       1.029300       1.532200    
 H   -2.021700      -1.150200      0.2242000    
 H   -1.475400     -0.1859000       1.609800    
 H    1.024000     -0.5843000      -1.921300    
 H  -0.5893000      -1.302200      -1.871800    
 H  -0.4048000      0.4531000      -2.000600    
 H   7.4000001E-02  -2.499900      0.3440000    
 H    1.667000      -1.759700      0.1930000    
 H   0.7284000      -1.541800       1.679500    
 H    2.598900      0.2165000      0.5596000    
 H   -3.024400      0.8744000      0.3438000    


%chk=000031344-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031344

0 1
O 2.190028 0.885174 0.075942
O -2.052736 0.973674 0.028002
C -0.006618 -0.364468 -0.015387
C 0.762508 0.912887 0.432639
C -1.450658 -0.274902 0.526346
C -0.015406 -0.461066 -1.560349
C 0.654671 -1.626974 0.597353
H 0.358018 1.793758 -0.087345
H 0.634570 1.059524 1.528643
H -2.027621 -1.158419 0.175547
H -1.433223 -0.281140 1.639686
H 1.012099 -0.349289 -1.949905
H -0.414525 -1.437552 -1.895357
H -0.643117 0.337935 -1.991051
H 0.036703 -2.525767 0.413721
H 1.640810 -1.816708 0.135079
H 0.792185 -1.529748 1.692975
H 2.643660 0.194501 0.621236
H -2.988649 1.040079 0.340026


