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Geometry for CH3Cl (Methyl chloride) 1A1 C3V

1910171554
InChI=1S/CH3Cl/c1-2/h1H3 INChIKey=NEHMKBQYUWJMIP-UHFFFAOYSA-N

BLYP/cc-pVTZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.1528   -1.1528 0.0000 -0.0000
Cl2 0.0000 0.0000 0.6699   0.6699 0.0000 0.0000
H3 0.0000 1.0372 -1.4906   -1.4906 -1.0372 -0.0000
H4 0.8982 -0.5186 -1.4906   -1.4906 0.5186 -0.8982
H5 -0.8982 -0.5186 -1.4906   -1.4906 0.5186 0.8982
Atom - Atom Distances (Å)
  C1 Cl2 H3 H4 H5
C1 1.8227 1.0908 1.0908 1.0908
Cl2 1.8227 2.3966 2.3966 2.3966
H3 1.0908 2.3966 1.7965 1.7965
H4 1.0908 2.3966 1.7965 1.7965
H5 1.0908 2.3966 1.7965 1.7965
Maximum atom distance is 2.3966Å between atoms Cl2 and H4.
picture of Methyl chloride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl2 C1 H3 108.040 Cl2 C1 H4 108.040
Cl2 C1 H5 108.040 H3 C1 H4 110.863
H3 C1 H5 110.863 H4 C1 H5 110.863

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