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Geometry for CH3OO (methylperoxy radical) 2A" CS

1910171554
InChI=1S/CH3O2/c1-3-2/h1H3 INChIKey=WTFNSXYULBQCQV-UHFFFAOYSA-N

HF/CEP-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.9880 -0.4648 0.0000   1.0715 -0.2099 0.0000
O2 0.0000 0.5641 0.0000   -0.1375 0.5471 0.0000
O3 -1.2055 0.0470 0.0000   -1.1806 -0.2482 0.0000
H4 1.9440 0.0519 0.0000   1.8728 0.5242 0.0000
H5 0.8860 -1.0762 0.8942   1.1216 -0.8278 0.8942
H6 0.8860 -1.0762 -0.8942   1.1216 -0.8278 -0.8942
Atom - Atom Distances (Å)
  C1 O2 O3 H4 H5 H6
C1 1.4265 2.2524 1.0867 1.0880 1.0880
O2 1.4265 1.3117 2.0104 2.0677 2.0677
O3 2.2524 1.3117 3.1495 2.5368 2.5368
H4 1.0867 2.0104 3.1495 1.7865 1.7865
H5 1.0880 2.0677 2.5368 1.7865 1.7884
H6 1.0880 2.0677 2.5368 1.7865 1.7884
Maximum atom distance is 3.1495Å between atoms O3 and H4.
picture of methylperoxy radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 O3 110.619
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 H4 105.450 O2 C1 H5 109.902
O2 C1 H6 109.902 H4 C1 H5 110.464
H4 C1 H6 110.464 H5 C1 H6 110.542

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.