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Geometry for CH3OCl (methyl hypochlorite) 1A' CS

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

QCISD/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.8169 0.0000   -0.4867 -0.6560 0.0000
Cl2 -0.8133 -0.7016 0.0000   1.0712 0.0789 0.0000
C3 1.4185 0.6062 0.0000   -1.5004 0.3583 0.0000
H4 1.8319 1.6196 0.0000   -2.4363 -0.2093 0.0000
H5 1.7412 0.0676 0.8989   -1.4387 0.9831 0.8989
H6 1.7412 0.0676 -0.8989   -1.4387 0.9831 -0.8989
Atom - Atom Distances (Å)
  O1 Cl2 C3 H4 H5 H6
O1 1.7225 1.4341 2.0001 2.0979 2.0979
Cl2 1.7225 2.5868 3.5193 2.8152 2.8152
C3 1.4341 2.5868 1.0945 1.0965 1.0965
H4 2.0001 3.5193 1.0945 1.7958 1.7958
H5 2.0979 2.8152 1.0965 1.7958 1.7978
H6 2.0979 2.8152 1.0965 1.7958 1.7978
Maximum atom distance is 3.5193Å 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 109.726
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C3 H4 103.745 O1 C3 H5 111.301
O1 C3 H6 111.301 H4 C3 H5 110.099
H4 C3 H6 110.099 H5 C3 H6 110.134

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