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Geometry for CH3Cl (Methyl chloride) 1A1 C3V

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

B3PW91/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 -1.1299   0.0000 -1.1299 0.0000
Cl2 0.0000 0.0000 0.6597   0.0000 0.6597 0.0000
H3 0.0000 1.0400 -1.4786   1.0400 -1.4786 0.0000
H4 0.9007 -0.5200 -1.4786   -0.5200 -1.4786 0.9007
H5 -0.9007 -0.5200 -1.4786   -0.5200 -1.4786 -0.9007
Atom - Atom Distances (Å)
  C1 Cl2 H3 H4 H5
C1 1.7896 1.0969 1.0969 1.0969
Cl2 1.7896 2.3778 2.3778 2.3778
H3 1.0969 2.3778 1.8013 1.8013
H4 1.0969 2.3778 1.8013 1.8013
H5 1.0969 2.3778 1.8013 1.8013
Maximum atom distance is 2.3778Å 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 108.532 Cl2 C1 H4 108.532
Cl2 C1 H5 108.532 H3 C1 H4 110.394
H3 C1 H5 110.394 H4 C1 H5 110.394

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