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Geometry for CH3Cl (Methyl chloride) 1A1 C3V

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

CCSD(T)/aug-cc-pVDZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.1437   -1.1437 0.0000 0.0000
Cl2 0.0000 0.0000 0.6658   0.6658 0.0000 0.0000
H3 0.0000 1.0451 -1.4853   -1.4853 1.0451 0.0000
H4 0.9051 -0.5225 -1.4853   -1.4853 -0.5225 0.9051
H5 -0.9051 -0.5225 -1.4853   -1.4853 -0.5225 -0.9051
Atom - Atom Distances (Å)
  C1 Cl2 H3 H4 H5
C1 1.8095 1.0995 1.0995 1.0995
Cl2 1.8095 2.3915 2.3915 2.3915
H3 1.0995 2.3915 1.8101 1.8101
H4 1.0995 2.3915 1.8101 1.8101
H5 1.0995 2.3915 1.8101 1.8101
Maximum atom distance is 2.3915Å between atoms Cl2 and H3.
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 108.102 Cl2 C1 H4 108.102
Cl2 C1 H5 108.102 H3 C1 H4 110.805
H3 C1 H5 110.805 H4 C1 H5 110.805

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