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Geometry for CH3OCl (methyl hypochlorite) 1A' CS

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

HF/LANL2DZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.8201 0.0000   -0.4745 -0.6689 0.0000
Cl2 -0.8250 -0.7509 0.0000   1.1074 0.1351 0.0000
C3 1.4456 0.6899 0.0000   -1.5782 0.2737 0.0000
H4 1.7901 1.7129 0.0000   -2.4511 -0.3613 0.0000
H5 1.7809 0.1762 0.8887   -1.5545 0.8867 0.8887
H6 1.7809 0.1762 -0.8887   -1.5545 0.8867 -0.8887
Atom - Atom Distances (Å)
  O1 Cl2 C3 H4 H5 H6
O1 1.7745 1.4515 2.0004 2.0919 2.0919
Cl2 1.7745 2.6892 3.5929 2.9052 2.9052
C3 1.4515 2.6892 1.0794 1.0798 1.0798
H4 2.0004 3.5929 1.0794 1.7751 1.7751
H5 2.0919 2.9052 1.0798 1.7751 1.7773
H6 2.0919 2.9052 1.0798 1.7751 1.7773
Maximum atom distance is 3.5929Å 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 112.558
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C3 H4 103.465 O1 C3 H5 110.606
O1 C3 H6 110.606 H4 C3 H5 110.594
H4 C3 H6 110.594 H5 C3 H6 110.766

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