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Geometry for CH3Cl (Methyl chloride) 1A1 C3V

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

B3PW91/aug-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 -1.1274   -1.1274 0.0000 0.0000
Cl2 0.0000 0.0000 0.6575   0.6575 0.0000 0.0000
H3 0.0000 1.0303 -1.4712   -1.4712 0.3618 0.9647
H4 0.8923 -0.5152 -1.4712   -1.4712 0.6546 -0.7956
H5 -0.8923 -0.5152 -1.4712   -1.4712 -1.0163 -0.1691
Atom - Atom Distances (Å)
  C1 Cl2 H3 H4 H5
C1 1.7849 1.0862 1.0862 1.0862
Cl2 1.7849 2.3650 2.3650 2.3650
H3 1.0862 2.3650 1.7845 1.7845
H4 1.0862 2.3650 1.7845 1.7845
H5 1.0862 2.3650 1.7845 1.7845
Maximum atom distance is 2.3650Å 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 108.454 Cl2 C1 H4 108.454
Cl2 C1 H5 108.454 H3 C1 H4 110.469
H3 C1 H5 110.469 H4 C1 H5 110.469

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