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Geometry for CH3OCl (methyl hypochlorite) 1A' CS

1910171554
InChI=1S/CH3ClO/c1-3-2/h1H3 INChIKey=UCFFGYASXIPWPD-UHFFFAOYSA-N

MP3/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.8135 0.0000   0.4795 0.6572 0.0000
Cl2 -0.8105 -0.6994 0.0000   -1.0670 -0.0872 0.0000
C3 1.4135 0.6050 0.0000   1.4984 -0.3444 0.0000
H4 1.8268 1.6159 0.0000   2.4282 0.2285 0.0000
H5 1.7356 0.0677 0.8968   1.4419 -0.9683 0.8968
H6 1.7356 0.0677 -0.8968   1.4419 -0.9683 -0.8968
Atom - Atom Distances (Å)
  O1 Cl2 C3 H4 H5 H6
O1 1.7164 1.4288 1.9953 2.0911 2.0911
Cl2 1.7164 2.5783 3.5094 2.8063 2.8063
C3 1.4288 2.5783 1.0922 1.0939 1.0939
H4 1.9953 3.5094 1.0922 1.7915 1.7915
H5 2.0911 2.8063 1.0939 1.7915 1.7937
H6 2.0911 2.8063 1.0939 1.7915 1.7937
Maximum atom distance is 3.5094Å between atoms Cl2 and H4.
picture of methyl hypochlorite
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl2 O1 C3 109.785
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C3 H4 103.847 O1 C3 H5 111.284
O1 C3 H6 111.284 H4 C3 H5 110.068
H4 C3 H6 110.068 H5 C3 H6 110.134

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