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Geometry for CH3OO (methylperoxy radical) 2A" CS

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

HF/LANL2DZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.0298 -0.4538 0.0000   -1.1103 0.1835 0.0000
O2 0.0000 0.5703 0.0000   0.1418 -0.5524 0.0000
O3 -1.2529 0.0244 0.0000   1.2196 0.2880 0.0000
H4 1.9613 0.0876 0.0000   -1.8779 -0.5725 0.0000
H5 0.9417 -1.0612 0.8878   -1.1760 0.7937 0.8878
H6 0.9417 -1.0612 -0.8878   -1.1760 0.7937 -0.8878
Atom - Atom Distances (Å)
  C1 O2 O3 H4 H5 H6
C1 1.4524 2.3322 1.0774 1.0793 1.0793
O2 1.4524 1.3667 2.0198 2.0825 2.0825
O3 2.3322 1.3667 3.2148 2.6044 2.6044
H4 1.0774 2.0198 3.2148 1.7741 1.7741
H5 1.0793 2.0825 2.6044 1.7741 1.7756
H6 1.0793 2.0825 2.6044 1.7741 1.7756
Maximum atom distance is 3.2148Å 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 111.610
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 H4 104.992 O2 C1 H5 109.814
O2 C1 H6 109.814 H4 C1 H5 110.691
H4 C1 H6 110.691 H5 C1 H6 110.691

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