return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for CH2Cl2 (Methylene chloride) 1A1 C2V

1910171554
InChI=1S/CH2Cl2/c2-1-3/h1H2 INChIKey=YMWUJEATGCHHMB-UHFFFAOYSA-N

B97D3/aug-cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7695   0.7695 0.0000 0.0000
H2 -0.9029 0.0000 1.3743   1.3743 -0.9029 0.0000
H3 0.9029 0.0000 1.3743   1.3743 0.9029 0.0000
Cl4 0.0000 1.4939 -0.2166   -0.2166 0.0000 1.4939
Cl5 0.0000 -1.4939 -0.2166   -0.2166 0.0000 -1.4939
Atom - Atom Distances (Å)
  C1 H2 H3 Cl4 Cl5
C1 1.0868 1.0868 1.7900 1.7900
H2 1.0868 1.8057 2.3618 2.3618
H3 1.0868 1.8057 2.3618 2.3618
Cl4 1.7900 2.3618 2.3618 2.9879
Cl5 1.7900 2.3618 2.3618 2.9879
Maximum atom distance is 2.9879Å between atoms Cl4 and Cl5.
picture of Methylene chloride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl4 C1 Cl5 113.146
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 112.358 H2 C1 Cl4 107.855
H2 C1 Cl5 107.855 H3 C1 Cl4 107.855
H3 C1 Cl5 107.855

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