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Geometry for CH3Cl (Methyl chloride) 1A1 C3V

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

B3LYPultrafine/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 -1.1393   -1.1393 0.0000 0.0000
Cl2 0.0000 0.0000 0.6642   0.6642 0.0000 0.0000
H3 0.0000 1.0337 -1.4854   -1.4854 0.5479 0.8766
H4 0.8952 -0.5169 -1.4854   -1.4854 0.4852 -0.9128
H5 -0.8952 -0.5169 -1.4854   -1.4854 -1.0331 0.0362
Atom - Atom Distances (Å)
  C1 Cl2 H3 H4 H5
C1 1.8036 1.0901 1.0901 1.0901
Cl2 1.8036 2.3853 2.3853 2.3853
H3 1.0901 2.3853 1.7904 1.7904
H4 1.0901 2.3853 1.7904 1.7904
H5 1.0901 2.3853 1.7904 1.7904
Maximum atom distance is 2.3853Å 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 108.510 Cl2 C1 H4 108.510
Cl2 C1 H5 108.510 H3 C1 H4 110.415
H3 C1 H5 110.415 H4 C1 H5 110.415

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