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Geometry for C2H6 (Ethane) 1A1g D3D

1910171554
InChI=1S/C2H6/c1-2/h1-2H3 INChIKey=OTMSDBZUPAUEDD-UHFFFAOYSA-N

B97D3/TZVP


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7657   0.7657 0.0000 0.0000
C2 0.0000 0.0000 -0.7657   -0.7657 0.0000 0.0000
H3 0.0000 1.0215 1.1645   1.1645 1.0215 0.0000
H4 -0.8846 -0.5107 1.1645   1.1645 -0.5107 -0.8846
H5 0.8846 -0.5107 1.1645   1.1645 -0.5107 0.8846
H6 0.0000 -1.0215 -1.1645   -1.1645 -1.0215 0.0000
H7 -0.8846 0.5107 -1.1645   -1.1645 0.5107 -0.8846
H8 0.8846 0.5107 -1.1645   -1.1645 0.5107 0.8846
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7 H8
C1 1.5315 1.0965 1.0965 1.0965 2.1839 2.1839 2.1839
C2 1.5315 2.1839 2.1839 2.1839 1.0965 1.0965 1.0965
H3 1.0965 2.1839 1.7692 1.7692 3.0981 2.5432 2.5432
H4 1.0965 2.1839 1.7692 1.7692 2.5432 2.5432 3.0981
H5 1.0965 2.1839 1.7692 1.7692 2.5432 3.0981 2.5432
H6 2.1839 1.0965 3.0981 2.5432 2.5432 1.7692 1.7692
H7 2.1839 1.0965 2.5432 2.5432 3.0981 1.7692 1.7692
H8 2.1839 1.0965 2.5432 3.0981 2.5432 1.7692 1.7692
Maximum atom distance is 3.0981Å between atoms H4 and H8.
picture of Ethane
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
C1 C2 H6 111.327 C1 C2 H7 111.327
C1 C2 H8 111.327 C2 C1 H3 111.327
C2 C1 H4 111.327 C2 C1 H5 111.327
H3 C1 H4 107.553 H3 C1 H5 107.553
H4 C1 H5 107.553 H6 C2 H7 107.553
H6 C2 H8 107.553 H7 C2 H8 107.553

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