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Geometry for C2H2ClF (Dioxymethyl radical) 2A' CS

1910171554
InChI=1S/CH2O2/c1-3-2/h1H2 INChIKey=

B1B95/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.4531 0.0000   -0.0016 0.4531 0.0000
C2 1.0627 -0.2185 0.0000   1.0634 -0.2149 0.0000
H3 0.9980 -1.3007 0.0000   1.0025 -1.2972 0.0000
H4 1.9774 0.3581 0.0000   1.9761 0.3649 0.0000
O5 -1.1690 -0.1714 0.0000   -1.1683 -0.1754 0.0000
Atom - Atom Distances (Å)
  O1 C2 H3 H4 O5
O1 1.2572 2.0179 1.9796 1.3253
C2 1.2572 1.0841 1.0813 2.2322
H3 2.0179 1.0841 1.9263 2.4436
H4 1.9796 1.0813 1.9263 3.1906
O5 1.3253 2.2322 2.4436 3.1906
Maximum atom distance is 3.1906Å between atoms H4 and O5.
picture of Dioxymethyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 O1 O5 119.591
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H3 118.873 O1 C2 H4 115.475
H3 C2 H4 125.652

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