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Geometry for CH3CHCl2 (Ethane, 1,1-dichloro-) 1A' CS

1910171554
InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3 INChIKey=SCYULBFZEHDVBN-UHFFFAOYSA-N

B2PLYP=FULLultrafine/6-31G*


Point group is Cs
Atom Internal
x (Å) y (Å) z (Å)
C1 0.2115 0.5009 0.0000
C2 -0.9732 1.4433 0.0000
H3 1.1607 1.0300 0.0000
Cl4 0.2115 -0.5214 1.4765
Cl5 0.2115 -0.5214 -1.4765
H6 -1.9080 0.8815 0.0000
H7 -0.9371 2.0755 0.8898
H8 -0.9371 2.0755 -0.8898
Atom - Atom Distances (Å)
  C1 C2 H3 Cl4 Cl5 H6 H7 H8
C1 1.5138 1.0867 1.7958 1.7958 2.1534 2.1425 2.1425
C2 1.5138 2.1736 2.7283 2.7283 1.0906 1.0921 1.0921
H3 1.0867 2.1736 2.3426 2.3426 3.0723 2.5071 2.5071
Cl4 1.7958 2.7283 2.3426 2.9529 2.9395 2.8995 3.6962
Cl5 1.7958 2.7283 2.3426 2.9529 2.9395 3.6962 2.8995
H6 2.1534 1.0906 3.0723 2.9395 2.9395 1.7776 1.7776
H7 2.1425 1.0921 2.5071 2.8995 3.6962 1.7776 1.7796
H8 2.1425 1.0921 2.5071 3.6962 2.8995 1.7776 1.7796
Maximum atom distance is 3.6962Å between atoms Cl4 and H8.
picture of Ethane, 1,1-dichloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 Cl4 110.756 C2 C1 Cl5 110.756
Cl4 C1 Cl5 110.601
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 110.494 C1 C2 H7 109.542
C1 C2 H8 109.542 C2 C1 H3 112.365
H3 C1 Cl4 106.091 H3 C1 Cl5 106.091
H6 C2 H7 109.057 H6 C2 H8 109.057
H7 C2 H8 109.127

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