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Geometry for CH3Cl (Methyl chloride) 1A1 C3V

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

B2PLYP/6-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.1321   -1.1321 0.0000 0.0000
Cl2 0.0000 0.0000 0.6607   0.6607 0.0000 0.0000
H3 0.0000 1.0309 -1.4799   -1.4799 1.0309 0.0000
H4 0.8928 -0.5154 -1.4799   -1.4799 -0.5154 0.8928
H5 -0.8928 -0.5154 -1.4799   -1.4799 -0.5154 -0.8928
Atom - Atom Distances (Å)
  C1 Cl2 H3 H4 H5
C1 1.7929 1.0880 1.0880 1.0880
Cl2 1.7929 2.3759 2.3759 2.3759
H3 1.0880 2.3759 1.7856 1.7856
H4 1.0880 2.3759 1.7856 1.7856
H5 1.0880 2.3759 1.7856 1.7856
Maximum atom distance is 2.3759Å 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 108.640 Cl2 C1 H4 108.640
Cl2 C1 H5 108.640 H3 C1 H4 110.290
H3 C1 H5 110.290 H4 C1 H5 110.290

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